SCHEMBL6965586

SCHEMBL6965586

Cc1ccccc1Cc1cn(Cc2ccc(Cl)cc2)cn1.N=CN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
P2RX3 P56373 1/20 0.35
TP53 P04637 1/20 0.35
KDR P35968 1/20 0.35
CYP11B1 P15538 4/20 0.35
CYP11B2 P19099 4/20 0.35
KCNH2 Q12809 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2B6 P20813 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34

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
SCHEMBL6958763 0.85 PHF8 (0.34) KDM4EPHF8CYP11B1CYP11B2CYP2A6
SCHEMBL6972372 0.85 ALDH1A1 (0.42) KDM4ETP53HTTLTA4H
SCHEMBL6955809 0.85 HPGDS (0.39) PHF8CYP11B1CYP11B2CYP2A6CYP19A1
SCHEMBL11049916 0.85 HPGDS (0.43) LMNAPHF8CYP11B1CYP11B2CYP2A6
SCHEMBL6968287 0.83 NR1H2 (0.38) KDM4EPHF8LTA4H
SCHEMBL10791998 0.80 CYP11B1 (0.51) KDM4ELMNACYP11B1CYP11B2HTT
SCHEMBL6968013 0.77 KDM4C (0.40) PHF8CYP11B1CYP11B2
SCHEMBL6952807 0.76 SIGMAR1 (0.45) PHF8CYP11B1CYP11B2CYP2A6CYP19A1
SCHEMBL10792191 0.75 CYP11B1 (0.39) KDM4ELMNACYP11B1CYP11B2CYP19A1
SCHEMBL6972346 0.74 PHF8 (0.38) LMNAPHF8CYP2A6CYP19A1CYP2B6

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