SCHEMBL18611

SCHEMBL18611

N#Cc1cccnc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.46
HPGD P15428 7/20 0.42
ALDH1A1 P00352 7/20 0.42
CYP11B1 P15538 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
POLB P06746 1/20 0.41
PLCG1 P19174 1/20 0.41
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL29533314 1.00 LRRK2 (0.46) LRRK2HPGDALDH1A1CYP11B1SMN1; SMN2
Pyrrole SCHEMBL28114401 0.88 LRRK2 (0.42) LRRK2HPGDALDH1A1CYP11B1SMN1; SMN2
SCHEMBL12754871 0.85 GRM5 (0.46) LRRK2HPGDALDH1A1CYP11B1SMN1; SMN2
SCHEMBL30320148 0.85 PLCG1 (0.41) LRRK2HPGDALDH1A1CYP11B1SMN1; SMN2
SCHEMBL167824 0.85 PLCG1 (0.41) LRRK2HPGDALDH1A1CYP11B1SMN1; SMN2
SCHEMBL972357 0.85 LRRK2 (0.42) LRRK2HPGDALDH1A1CYP11B1SMN1; SMN2
SCHEMBL3248902 0.85 PLCG1 (0.41) LRRK2HPGDALDH1A1CYP11B1SMN1; SMN2
Cyclohexane SCHEMBL507539 0.80 GRM5 (0.43) LRRK2HPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL29489584 0.79
SCHEMBL155110 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114790167-B Preparation method of 2, 3-dichloropyridine 北京弗莱明科技有限公司 2024-01-05 CN claimed
CN-115968214-A Hole transport film, preparation method thereof, photoelectric device and display device TCL科技集团股份有限公司 2023-04-14 CN claimed
WO-2023056838-A1 THIN FILM AND PREPARATION METHOD THEREFOR, PHOTOELECTRIC DEVICE TCL科技集团股份有限公司 2023-04-13 WO claimed
CN-114989168-B Preparation method of 2, 8-diazabicyclo [4,3,0] nonane 山东国邦药业有限公司 2022-10-11 CN claimed
CN-114989168-A Preparation method of 2, 8-diazabicyclo [4,3,0] nonane 山东国邦药业有限公司 2022-09-02 CN claimed
CN-114790167-A Preparation method of 2, 3-dichloropyridine 北京弗莱明科技有限公司 2022-07-26 CN claimed
CN-114618498-A Atomic-level dispersed metal Ni coordination nitrogen-rich carbon-based framework and preparation method and application thereof 浙江工业大学 2022-06-14 CN claimed
CN-114512719-A Eutectic solvent-based electrolyte and application thereof 中国科学院青岛生物能源与过程研究所 2022-05-17 CN claimed
CN-112694438-A Improved process of 2-hydrazino-3-chloropyridine 江苏优普生物化学科技股份有限公司 2021-04-23 CN claimed
CN-110635167-B Nonaqueous electrolyte solution, battery containing same, and electric vehicle 比亚迪股份有限公司 2021-04-20 CN claimed
CN-1441783-A Drug containing dicyanopyridine derivative YAMANOUCHI PHARMA CO LTD (JP) 2003-09-10 CN claimed
US-6524761-B2 Photosensitive with respect to light from the visible to near infrared range; charging; electrostatic stability; mass spectrophotometry RICOH COMPANY, LTD. (JP) 2003-02-25 US claimed
JP-2003500510-A 2003-01-07 JP claimed
US-6368395-B1 COLORFASTNESS; PHOTOSTABILITY KIMBERLY-CLARK WORLDWIDE, INC. 2002-04-09 US claimed
EP-1180126-A1 SUBPHTHALOCYANINE COLORANTS, INK COMPOSITIONS AND METHODS OF MAKING THE SAME Kimberly-Clark Worldwide, Inc. (US) 2002-02-20 EP claimed
US-20020007056-A1 Mixture of titanyltetraazaporphyrin compounds and electrophotographic photoconductor using the same RICOH COMPANY, LTD. (JP) 2002-01-17 US claimed
US-6313288-B1 Mixture of titanyltetraazaporphyrin compounds and electrophotographic photoconductor using the same RICOH COMPANY, LTD. (JP) 2001-11-06 US claimed
WO-2000071621-A1 NOVEL SUBPHTHALOCYANINE COLORANTS, INK COMPOSITIONS, AND METHODS OF MAKING THE SAME KIMBERLY-CLARK WORLDWIDE, INC. (US) 2000-11-30 WO claimed
WO-1998033786-A9 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS 1998-12-30 WO claimed
EP-0204535-B1 N-FLUOROPYRIDINIUM SALT AND PROCESS FOR PREPARING SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-08-19 EP claimed