SCHEMBL9701382

SCHEMBL9701382

CCCCOc1cccc(-c2ccc(-c3nnn[nH]3)c(=O)[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 3/20 0.38
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GLA P06280 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PTPN1 P18031 1/20 0.38
DHODH Q02127 1/20 0.37
PTPN11 Q06124 1/20 0.37
GPR84 Q9NQS5 1/20 0.37

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
SCHEMBL9526113 0.95 MAPT (0.41) SMN1; SMN2CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL9528770 0.90 KDM4E (0.48) SMN1; SMN2GAAKDM4EMAPTTHRB
SCHEMBL9701387 0.88 CYP2C9 (0.47) SMN1; SMN2CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL9700689 0.85 RAB9A (0.33) SMN1; SMN2CYP1A2GAAKDM4EMAPT
SCHEMBL9700666 0.85 ALDH1A1 (0.53) GAAKDM4EALDH1A1L3MBTL1GLA
SCHEMBL9701474 0.84 CYP1A2 (0.41) SMN1; SMN2CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL9700824 0.83 CDC7 (0.45) KDM4EMAPTTDP1ALDH1A1DHODH
SCHEMBL9525824 0.83 NPC1 (0.38) SMN1; SMN2CYP1A2CYP2C9CYP2C19GAA
SCHEMBL9700772 0.82 XDH (0.35) SMN1; SMN2CYP1A2CYP2C9CYP2C19GAA
SCHEMBL6954732 0.82 SMN1; SMN2 (0.52) SMN1; SMN2CYP1A2CYP19A1CYP2C9CYP2C19

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