SCHEMBL9700689

SCHEMBL9700689

CCCOc1cc(OCCC)cc(-c2ccc(-c3nnn[nH]3)c(=O)[nH]2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 4/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
PDE5A O76074 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9700651 0.91 MAPT (0.35) RAB9ANPC1TP53GAAHSD17B10
SCHEMBL9526113 0.90 MAPT (0.41) CYP1A2GAAMAPTLMNATSHR
SCHEMBL9701474 0.90 CYP1A2 (0.41) RAB9ANPC1TP53CYP1A2GAA
SCHEMBL9701708 0.88 PDE3B (0.33) CYP1A2GAAHSD17B10MAPTALDH1A1
SCHEMBL9701387 0.85 CYP2C9 (0.47) RAB9ACYP1A2LMNAGPR84HPGD
SCHEMBL9701382 0.85 SMN1; SMN2 (0.42) RAB9ANPC1CYP1A2GAAMAPT
SCHEMBL9700635 0.84 GAA (0.39) GAAHSD17B10MAPTLMNAMEN1
SCHEMBL9701582 0.84 GCGR (0.39) CYP1A2HSD17B10MAPTLMNAMEN1
SCHEMBL9700644 0.84 PDE5A (0.38) RAB9ANPC1CYP1A2GAAHSD17B10
SCHEMBL9525805 0.83 CDC7 (0.36) GAAMAPTMEN1KMT2AMAOA

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