SCHEMBL9700701

SCHEMBL9700701

CCc1cccc(-c2ccc(-c3nnn[nH]3)c(=O)[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
IDO1 P14902 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
BCL2 P10415 1/20 0.34
PIM1 P11309 1/20 0.34
FGFR1 P11362 1/20 0.33
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DAO P14920 1/20 0.32
APLNR P35414 2/20 0.32
PTGS2 P35354 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 0.83 KDM4E (0.48) NOTUMFGFR1ALDH1A1L3MBTL1KDM4E
SCHEMBL9700756 0.81 SNCA (0.37) ALDH1A1L3MBTL1KDM4EGLAGAA
SCHEMBL9701671 0.81 BRD4 (0.42) NOTUMIDO1ALDH1A1KDM4EGLA
SCHEMBL9526113 0.81 MAPT (0.41) ALDH1A1L3MBTL1KDM4EGLAGAA
SCHEMBL9700666 0.81 ALDH1A1 (0.53) NOTUMALDH1A1L3MBTL1KDM4EGLA
SCHEMBL9700407 0.81 IDO1 (0.41) NOTUMIDO1ALDH1A1L3MBTL1KDM4E
SCHEMBL9701382 0.80 SMN1; SMN2 (0.42) ALDH1A1L3MBTL1KDM4EGLAGAA
SCHEMBL9700824 0.80 CDC7 (0.45) ALDH1A1KDM4EMAPTMAPK1
SCHEMBL9702585 0.79 CYP3A4 (0.48) ALDH1A1KDM4EGAANPC1LMNA
SCHEMBL9700772 0.79 XDH (0.35) ALDH1A1KDM4EGAALMNAMAPT

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