SCHEMBL9525824

SCHEMBL9525824

C=CCOc1cccc(-c2ccc(-c3nnn[nH]3)c(=O)[nH]2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 4/20 0.38
GAA P10253 3/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADORA1 P30542 1/20 0.35
SIRT1 Q96EB6 1/20 0.34
MAPT P10636 3/20 0.33
MGLL Q99685 1/20 0.33
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL9528770 0.86 KDM4E (0.48) NPC1RAB9AKDM4EGAAALDH1A1
SCHEMBL9526113 0.84 MAPT (0.41) KDM4EGAAMEN1KMT2AALDH1A1
SCHEMBL9700824 0.83 CDC7 (0.45) KDM4EKMT2AALDH1A1MAPTTDP1
SCHEMBL9701382 0.83 SMN1; SMN2 (0.42) NPC1RAB9AKDM4EGAAMEN1
SCHEMBL9700666 0.82 ALDH1A1 (0.53) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9701671 0.76 BRD4 (0.42) KDM4EGAAALDH1A1GLALMNA
SCHEMBL9700756 0.76 SNCA (0.37) NPC1RAB9AKDM4EGAAMEN1
SCHEMBL9700651 0.76 MAPT (0.35) NPC1RAB9AKDM4EGAAALDH1A1
SCHEMBL9700701 0.76 NOTUM (0.41) NPC1RAB9AKDM4EGAAALDH1A1
SCHEMBL9700689 0.74 RAB9A (0.33) NPC1RAB9AKDM4EGAAMEN1

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 3 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
EP-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed