SCHEMBL9701708

SCHEMBL9701708

CCOc1cc(OCCOC)cc(-c2ccc(-c3nnn[nH]3)c(=O)[nH]2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 1/20 0.32
CYP2C9 P11712 1/20 0.32
MOGAT2 Q3SYC2 1/20 0.32
TIPARP Q7Z3E1 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 2/20 0.31
ESR2 Q92731 1/20 0.31
P2RY12 Q9H244 1/20 0.31
THRB P10828 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GUSB P08236 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
SCHEMBL9700651 0.93 MAPT (0.35) PDE3BPDE3AHSD17B10KDM4EALDH1A1
SCHEMBL9700689 0.88 RAB9A (0.33) HSD17B10KDM4EALDH1A1GAAHPGD
SCHEMBL9528770 0.83 KDM4E (0.48) PDE3BPDE3AHSD17B10KDM4EALDH1A1
SCHEMBL9700635 0.82 GAA (0.39) HSD17B10KDM4EALDH1A1GAAHPGD
SCHEMBL9526113 0.79 MAPT (0.41) KDM4EALDH1A1GAACYP2C9CYP1A2
SCHEMBL9701474 0.78 CYP1A2 (0.41) HSD17B10KDM4EALDH1A1GAAHPGD
SCHEMBL9701387 0.78 CYP2C9 (0.47) HPGDCYP2C9MOGAT2CYP1A2CYP2D6
SCHEMBL9701382 0.78 SMN1; SMN2 (0.42) KDM4EALDH1A1GAACYP2C9CYP1A2
SCHEMBL9529353 0.76 CYP2C9 (0.34) HSD17B10KDM4EALDH1A1CYP2C9MOGAT2
SCHEMBL9700666 0.75 ALDH1A1 (0.53) KDM4EALDH1A1GAA

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