SCHEMBL6972372

SCHEMBL6972372

COc1ccccc1Cc1cn(Cc2ccc(Cl)cc2)cn1.N=CN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 4/20 0.39
TP53 P04637 1/20 0.39
DRD4 P21917 1/20 0.38
YTHDC1 Q96MU7 1/20 0.37
ADCY10 Q96PN6 1/20 0.37
TSHR P16473 2/20 0.37
CSF1R P07333 1/20 0.37
IDO1 P14902 1/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LTA4H P09960 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SCN9A Q15858 1/20 0.36
PSMD14 O00487 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL6965586 0.85 THRB (0.39) KDM4ETP53HTTLTA4H
SCHEMBL6958763 0.82 PHF8 (0.34) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6955809 0.82 HPGDS (0.39) ALDH1A1MEN1KMT2AHTTCYP1A2
SCHEMBL6968287 0.80 NR1H2 (0.38) ALDH1A1KDM4EYTHDC1LTA4H
SCHEMBL6974237 0.78 CDK5 (0.51) ALDH1A1MEN1KMT2AHTTLTA4H
SCHEMBL6968013 0.74 KDM4C (0.40) ADCY10IDO1L3MBTL1
SCHEMBL6952807 0.74 SIGMAR1 (0.45) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL6972346 0.71 PHF8 (0.38) ALDH1A1MEN1KMT2AHTTCYP1A2
SCHEMBL6973877 0.71 CYP3A4 (0.45) MAPTLTA4HCYP1A2CYP2D6CYP2C9
SCHEMBL6972535 0.70 KDM4C (0.38) MAPTL3MBTL1CYP2D6CYP2C9CYP2C19

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