SCHEMBL6972346

SCHEMBL6972346

CCC(=N)N.Clc1ccc(Cn2cnc(Cc3ccccc3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHF8 Q9UPP1 2/20 0.38
KCNMA1 Q12791 2/20 0.37
KDM4C Q9H3R0 2/20 0.36
CPB2 Q96IY4 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
HPGDS O60760 1/20 0.36
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2E1 P05181 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2B6 P20813 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 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
SCHEMBL6952807 0.87 SIGMAR1 (0.45) PHF8KCNMA1KDM4CHPGDSKDM5A
SCHEMBL6955809 0.85 HPGDS (0.39) PHF8KCNMA1KDM4CCPB2HPGDS
SCHEMBL30741761 0.80 HPGDS (0.50) PHF8KCNMA1KDM4CCPB2CDK5
SCHEMBL6962477 0.76 PHF8 (0.48) PHF8KDM4CHPGDSCYP3A4CYP2D6
SCHEMBL9023871 0.75 SIGMAR1 (0.44) PHF8KDM4CHPGDSKDM5AKDM5B
SCHEMBL6965586 0.74 THRB (0.39) PHF8CYP2A6CYP2B6CYP19A1LMNA
SCHEMBL6974237 0.74 CDK5 (0.51) CDK5CDK5R1CYP3A4CYP2D6CYP2C9
SCHEMBL6973877 0.74 CYP3A4 (0.45) PHF8KDM4CCPB2HPGDSKDM5A
SCHEMBL5023714 0.73 HPGDS (0.49) PHF8KDM4CCDK5CDK5R1HPGDS
SCHEMBL6972535 0.72 KDM4C (0.38) KDM4CHPGDSKDM5BCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729459-B1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORP (US) 2003-03-12 EP disclosed
US-5578616-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS SCHERING CORPORATION (US) 1996-11-26 US disclosed