SCHEMBL11269382

SCHEMBL11269382

Cn1c2ccccc2c2oc(C#N)cc(=O)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.39
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
KDM4E B2RXH2 6/20 0.39
NQO2 P16083 1/20 0.39
HSD17B10 Q99714 5/20 0.39
ALDH1A1 P00352 5/20 0.39
TSHR P16473 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
ERCC1 P07992 1/20 0.38
FEN1 P39748 1/20 0.38
ERCC4 Q92889 1/20 0.38
MYLK Q15746 1/20 0.37
GPR3 P46089 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALKBH5 Q6P6C2 1/20 0.36

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
SCHEMBL11284898 0.84 KDM4E (0.40) HPGDKDM4EHSD17B10ALDH1A1MEN1
SCHEMBL11267749 0.83 RAB9A (0.35) HPGDKDM4EHSD17B10ALDH1A1CYP1A2
SCHEMBL11273839 0.83 CYP1A2 (0.45) HPGDKDM4EHSD17B10ALDH1A1CYP1A2
SCHEMBL11264400 0.81 ALDH1A1 (0.44) HPGDKDM4EHSD17B10ALDH1A1TSHR
SCHEMBL11278189 0.75 KDM4E (0.50) HPGDEGFRKDM4EHSD17B10ALDH1A1
SCHEMBL11269004 0.74 EGFR (0.43) HPGDEGFRSRCKDM4ENQO2
SCHEMBL7384714 0.70 POLB (0.54) HPGDEGFRKDM4ENQO2HSD17B10
SCHEMBL10918652 0.69 PABPC1 (0.41) HPGDEGFRSRCKDM4EHSD17B10
SCHEMBL11274440 0.69 HSD17B10 (0.51) HPGDKDM4EHSD17B10ALDH1A1TSHR
SCHEMBL9636992 0.69 PRKDC (0.49) HPGDKDM4EHSD17B10ALDH1A1CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4316904-A Indolopyrone tetrazoles and carboxamidotetrazoles having antiallergic activity WARNER-LAMBERT COMPANY 1982-02-23 US disclosed