SCHEMBL3025013

SCHEMBL3025013

N=C(N)NC(=N)N(CCCCCCN(C(=N)NC(=N)N)c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.36
LMNA P02545 1/20 0.34
IDO1 P14902 4/20 0.34
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGIR P43119 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
SLC22A2 O15244 1/20 0.31
SLC22A1 O15245 1/20 0.31
SLC22A3 O75751 1/20 0.31
HTR3B O95264 1/20 0.31
PLAU P00749 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31

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 SCHEMBL9615764 0.98 LMNA (0.37) SIGMAR1LMNAIDO1CYP3A4ALDH1A1
SCHEMBL11191152 0.93 NPC1 (0.41) CYP3A4ALDH1A1CYP2C19
SCHEMBL11502074 0.86 SIGMAR1 (0.35) SIGMAR1LMNAIDO1CYP3A4ALDH1A1
SCHEMBL11501939 0.85 CYP3A4 (0.38) SIGMAR1LMNACYP3A4ALDH1A1MEN1
SCHEMBL13583997 0.83 SLC6A3 (0.41) LMNACYP3A4ALDH1A1MEN1TSHR
SCHEMBL18762978 0.83 CYP3A4 (0.44) LMNAIDO1CYP3A4ALDH1A1MEN1
SCHEMBL3744394 0.82 SIGMAR1 (0.43) SIGMAR1LMNAIDO1CYP3A4ALDH1A1
SCHEMBL837588 0.79 MEN1 (0.41) CYP3A4ALDH1A1MEN1TSHRKMT2A
SCHEMBL4736491 0.78 NPC1 (0.52) ALDH1A1MEN1KMT2A
SCHEMBL10353146 0.77 NPC1 (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110835457-A Full-biomass porous material slow-release antibacterial active preservative film and preparation method thereof 上海海洋大学 2020-02-25 CN claimed
US-5668097-A DEODORIZING OF TEXTILE SURFACES THE PROCTER & GAMBLE COMPANY (US) 1997-09-16 US claimed
JP-4164061-A None JP disclosed
JP-56051408-A None JP disclosed
JP-59227824-A None JP disclosed
WO-2024044568-A1 ANTIMICROBIAL POLYCARBONATE COATINGS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-02-29 WO disclosed
WO-2023161828-A1 COMPOSITIONS OF EDTA HAVING ACTIVITY AGAINST PLANKTONIC AND BIOFILM CELLS OF CLINICALLY RELEVANT PATHOGENS STERILECARE INC. (CA) 2023-08-31 WO disclosed
WO-2023161827-A1 ANTIMICROBIAL SOLUTIONS COMPRISING TETRASODIUM EDTA, ETHANOL, AND CHLORHEXIDINE AND DISINFECTING WIPES COMPRISING SAID SOLUTIONS STERILECARE INC. (CA) 2023-08-31 WO disclosed
WO-2023161829-A1 EDTA DISINFECTING CAP KIT FOR LUER ACCESS DEVICES STERILECARE INC. (CA) 2023-08-31 WO disclosed
US-20230263758-A1 COMPOSITIONS OF EDTA HAVING ACTIVITY AGAINST PLANKTONIC AND BIOFILM CELLS OF CLINICALLY RELEVANT PATHOGENS STERILECARE INC. (CA) 2023-08-24 US disclosed
US-20230264009-A1 DISINFECTING CAP KIT FOR LUER ACCESS DEVICES STERILECARE INC. (CA) 2023-08-24 US disclosed
US-4157378-A DICALCIUM PHOSPHATE DIHYDRATE REACTED WITH HYDROGEN FLUORIDE COLGATE PALMOLIVE COMPANY (US) 1979-06-05 US disclosed
US-4152419-A SODIUM METAPHOSPHATE AND AN ALKALI FLUORIDE AND AN ALKALI MONOFLUOROPHOSPHATE COLGATE-PALMOLIVE COMPANY (US) 1979-05-01 US disclosed
US-4152417-A CALCIUM CARBONATE AND A SILICATE ASSURE COMPATIBILITY WITH ALUMINUM CONTAINER COLGATE-PALMOLIVE COMPANY (US) 1979-05-01 US disclosed
US-4138477-A ZINC POLYMER COMPLEX COLGATE PALMOLIVE COMPANY (US) 1979-02-06 US disclosed
US-4122164-A COMPATIBLE WITH ALUMINUM CONTAINER; CALCIUM CARBONATE AND 1A METAL SILICATE OR FUMED SILICA COLGATE-PALMOLIVE COMPANY (US) 1978-10-24 US disclosed
US-4118471-A SACCHARIN ACID, FLUORINE COMPOUND, ALUMINA TRIHYDRATE IN AN UNLINED ALUMINUM TUBE COLGATE-PALMOLIVE COMPANY (US) 1978-10-03 US disclosed
US-4108980-A FLUORIDE TREATMENT OF TEETH COLGATE-PALMOLIVE COMPANY (US) 1978-08-22 US disclosed
US-4075317-A Dental cream composition COLGATE-PALMOLIVE COMPANY (US) 1978-02-21 US disclosed
US-4041149-A PEROXY DIPHOSPHATE SALTS COLGATE-PALMOLIVE COMPANY (US) 1977-08-09 US disclosed