SCHEMBL9014379

SCHEMBL9014379

CCCCCCCCN(CCCCCCCC)c1ccccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNH2 Q12809 6/20 0.41
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.37
JAK2 O60674 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37
TLR8 Q9NR97 3/20 0.36
HTR2A P28223 1/20 0.36
ICMT O60725 1/20 0.36
ALB P02768 1/20 0.36
DNM1 Q05193 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL2229681 0.98 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19KCNH2ALDH1A1
SCHEMBL1324109 0.92 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL4663787 0.91 CYP1A2 (0.43) CYP1A2CYP2C9CYP2C19ALDH1A1HSD17B10
SCHEMBL9798892 0.86 KCNH2 (0.47) CYP1A2CYP2C9CYP2C19KCNH2ALDH1A1
SCHEMBL25453791 0.85 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19KCNH2ALDH1A1
SCHEMBL28884763 0.84 ALDH1A1 (0.43) CYP1A2CYP2C9CYP2C19KCNH2ALDH1A1
SCHEMBL2896836 0.84 DRD3 (0.38) CYP1A2CYP2C9CYP2C19ALDH1A1TP53
SCHEMBL9278064 0.84 KCNH2 (0.44) KCNH2ALDH1A1TP53NPC1JAK2
SCHEMBL17714489 0.84 CYP1A2 (0.36) CYP1A2CYP2C9CYP2C19KCNH2ALDH1A1
SCHEMBL28884725 0.82 ALDH1A1 (0.45) CYP1A2CYP2C9CYP2C19ALDH1A1TP53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470280-B1 Method for manufacturing polymeric coated steel wires for rubber reinforcement TOKYO ROPE MFG CO (JP) 1996-12-11 EP disclosed
US-5173341-A Coating wire with triazine-thiol derivative, drawing wire thorugh bath, polymerizing triazine-thiol TOKYO ROPE MFG. CO., LTD. (JP) 1992-12-22 US disclosed
EP-0470280-A1 Method for manufacturing polymeric coated steel wires for rubber reinforcement TOKYO ROPE MANUFACTURING CO., LTD. (JP) 1992-02-12 EP disclosed
EP-0113157-A1 Quench oils, concentrates for making quench oils and methods of treating metals EDWIN COOPER & COMPANY LIMITED (GB) 1984-07-11 EP disclosed