SCHEMBL8974659

SCHEMBL8974659

N#CCc1ccc2ccccc2c1CC#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 4/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HPRT1 P00492 1/20 0.38
HPGD P15428 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ANPEP P15144 1/20 0.36
GLA P06280 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
SCHEMBL11940533 0.87 L3MBTL1 (0.44) HSD17B10CYP1A2CYP2C9CYP2C19EGFR
SCHEMBL860023 0.87 EGFR (0.38) HSD17B10CYP1A2CYP2C9CYP2C19EGFR
SCHEMBL1902375 0.82 TDP1 (0.39) HSD17B10EGFRSRCALDH1A1TDP1
SCHEMBL6173898 0.79 TSHR (0.48) HSD17B10CYP1A2CYP2C9CYP2C19EGFR
SCHEMBL953654 0.79 HSD17B10 (0.63) HSD17B10CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL10392260 0.79 TSHR (0.48) HSD17B10CYP1A2ALDH1A1TDP1CYP2A6
SCHEMBL10624612 0.79 CYP2A6 (0.48) HSD17B10CYP1A2ALDH1A1TDP1CYP2A6
SCHEMBL7913536 0.79 ALDH1A1 (0.39) HSD17B10ALDH1A1TDP1CYP2A6TSHR
SCHEMBL956020 0.79 POLB (0.46) HSD17B10ALDH1A1TDP1CYP2A6TSHR
SCHEMBL11940549 0.78 HTT (0.56) HSD17B10CYP1A2CYP2C19ALDH1A1KDM4E

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
EP-0704094-A1 POLYMERS FOR OPTICAL DEVICES Cambridge Display Technology Limited (GB) 1996-04-03 EP disclosed