SCHEMBL9700679

SCHEMBL9700679

O=c1[nH]c(-c2cccc(Sc3ccccc3)c2)ccc1-c1nnn[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
GCK P35557 1/20 0.35
BCL2 P10415 1/20 0.33
MCL1 Q07820 1/20 0.33
KDM4E B2RXH2 2/20 0.33
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
NOTUM Q6P988 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
CD74 P04233 1/20 0.30
MIF P14174 1/20 0.30
PARP1 P09874 1/20 0.30
MAPT P10636 1/20 0.30
POLB P06746 1/20 0.30
USP30 Q70CQ3 1/20 0.30

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
SCHEMBL9700407 0.87 IDO1 (0.41) GCKKDM4ERAB9ANOTUML3MBTL1
SCHEMBL9700772 0.81 XDH (0.35) GCKKDM4EKMT2AMAPT
SCHEMBL9701671 0.81 BRD4 (0.42) KDM4ENOTUM
SCHEMBL9700756 0.81 SNCA (0.37) MAOBKDM4ENPC1RAB9AL3MBTL1
SCHEMBL9251638 0.78 PTGER3 (0.46)
SCHEMBL9700666 0.78 ALDH1A1 (0.53) KDM4ENOTUML3MBTL1
SCHEMBL9700701 0.78 NOTUM (0.41) BCL2KDM4ENPC1RAB9ANOTUM
SCHEMBL9700824 0.77 CDC7 (0.45) MAOAMAOBKDM4EKMT2AMAPT
SCHEMBL9589264 0.76 PNP (0.32) MAOAMAOBKDM4ENPC1RAB9A
SCHEMBL9754463 0.75 PTGER3 (0.39)

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
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO claimed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed