SCHEMBL4100900

SCHEMBL4100900

NC(N)=Nc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 7/20 1.00
HTR3B O95264 7/20 1.00
HTR3A P46098 7/20 1.00
HTR3D Q70Z44 7/20 1.00
HTR3C Q8WXA8 7/20 1.00
SLC22A2 O15244 7/20 1.00
SLC22A1 O15245 7/20 1.00
SLC22A3 O75751 7/20 1.00
PLAU P00749 6/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C19 P33261 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
POLB P06746 1/20 0.74
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
CA9 Q16790 2/20 0.61
NOS3 P29474 2/20 0.59
NOS1 P29475 2/20 0.59
NOS2 P35228 2/20 0.59

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL28627530 0.97 HTR3E (0.95) HTR3EHTR3BHTR3AHTR3DHTR3C
Bicarbonate SCHEMBL27729117 0.91 HTR3E (0.83) HTR3EHTR3BHTR3AHTR3DHTR3C
Nitric Acid SCHEMBL2544085 0.85 PLAU (0.73) HTR3EHTR3BHTR3AHTR3DHTR3C
4-Chlorophenylbiguanide SCHEMBL19038548 0.81 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
4-Chlorophenylbiguanide SCHEMBL30764857 0.81 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL2867227 0.80 NOS1 (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1738380 0.78 POLB (0.82) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30583210 0.77 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5605757 0.76 POLB (0.78) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11816150 0.76 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-217961385-U Device for selectively removing impurities in a cleaning fluid 开尔弗森2200有限公司 2022-12-06 CN claimed
EP-1228058-A4 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2003-02-12 EP claimed
EP-1228058-A1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dongbu Hannong Chemical Co., Ltd. (KR) 2002-08-07 EP claimed
WO-2001029023-A1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2001-04-26 WO claimed
CN-116462611-B Method for preparing polyarylguanidine by using diaryl hypervalent iodine reagent 天津科技大学 2024-06-21 CN disclosed
CN-115494171-B Method for detecting chlorhexidine and benzalkonium compounds in disinfectant 广州海关技术中心 2024-01-26 CN disclosed
EP-4267206-A1 ON-DEVICE SELECTIVE REMOVAL OF IMPURITIES IN CLEANING FLUID CAREFUSION 2200, INC (US) 2023-11-01 EP disclosed
CN-116685372-A Selectively removing impurities in a cleaning fluid in an in-plant manner 开尔弗森2200有限公司 2023-09-01 CN disclosed
CN-116462611-A Method for preparing polyarylguanidine by using diaryl hypervalent iodine reagent 天津科技大学 2023-07-21 CN disclosed
CN-217961385-U Device for selectively removing impurities in a cleaning fluid 开尔弗森2200有限公司 2022-12-06 CN disclosed
WO-2022139973-A1 ON-DEVICE SELECTIVE REMOVAL OF IMPURITIES IN CLEANING FLUID CAREFUSION 2200, INC. (US) 2022-06-30 WO disclosed
CN-114632163-A Sterilization of topical preservative solutions 开尔弗森2200有限公司 2022-06-17 CN disclosed
EP-1228058-A4 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2003-02-12 EP disclosed
EP-1228058-A1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dongbu Hannong Chemical Co., Ltd. (KR) 2002-08-07 EP disclosed
WO-2001029023-A1 BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2001-04-26 WO disclosed
US-6174924-B1 Therapeutic guanidines CAMBRIDGE NEUROSCIENCE, INC. 2001-01-16 US disclosed
US-6143791-A NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-07 US disclosed
EP-0339792-A2 Internal mould release composition IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-11-02 EP disclosed
US-4486356-A BY-PRODUCT INHIBITION GESHURI LABORATORIES, LTD. (IL) 1984-12-04 US disclosed
US-3976643-A FROM AN ANILINE AND CYANAMIDE WILLIAM H. RORER, INC. (US) 1976-08-24 US disclosed