SCHEMBL6972535

SCHEMBL6972535

FC(F)(F)c1ccc(Cn2cnc(Cc3ccccc3)c2)cc1.N=CN

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.38
BACE1 P56817 3/20 0.38
KDM5B Q9UGL1 1/20 0.38
HPGDS O60760 1/20 0.37
ALOX15B O15296 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CXCR2 P25025 1/20 0.36
PTGS2 P35354 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
SCHEMBL6955809 0.86 HPGDS (0.39) KDM4CKDM5BHPGDSCYP2E1CYP3A4
SCHEMBL6973877 0.85 CYP3A4 (0.45) KDM4CKDM5BHPGDSCYP2E1CYP3A4
SCHEMBL6974237 0.82 CDK5 (0.51) L3MBTL1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30741761 0.81 HPGDS (0.50) KDM4CKDM5BHPGDSCYP2E1CYP3A4
SCHEMBL6968287 0.79 NR1H2 (0.38) KDM4CKDM5B
SCHEMBL6952807 0.77 SIGMAR1 (0.45) KDM4CKDM5BHPGDSCYP2E1CYP3A4
SCHEMBL6968013 0.75 KDM4C (0.40) KDM4CKDM5BHPGDSL3MBTL1
SCHEMBL5755514 0.74 NPC1 (0.60) KDM4CKDM5BHPGDSCYP2E1CYP3A4
SCHEMBL6965586 0.72 THRB (0.39) CYP2A6CYP2B6LMNAMAPK1GAA
SCHEMBL6972346 0.72 PHF8 (0.38) KDM4CKDM5BHPGDSCYP2E1CYP3A4

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