SCHEMBL29118552

SCHEMBL29118552

Cc1cccc(-c2ncncn2)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TRPA1 O75762 2/20 0.43
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
CYP3A4 P08684 8/20 0.38
CYP1A2 P05177 7/20 0.38
CYP2D6 P10635 6/20 0.38
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
PRSS1 P07477 1/20 0.37
TSHR P16473 5/20 0.35
CYP2C19 P33261 4/20 0.35
ATM Q13315 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL6254344 0.80 HPGD (0.44) ALDH1A1TRPA1CYP3A4CYP2D6HSD17B10
SCHEMBL1445775 0.80 CYP1A2 (0.40) ALDH1A1TRPA1CYP3A4CYP1A2CYP2D6
SCHEMBL9444918 0.79 CYP1A2 (0.50) ALDH1A1CYP3A4CYP1A2CYP2D6HSD17B10
SCHEMBL12714311 0.79 ALDH1A1 (0.56) ALDH1A1TRPA1GABRA1GABRB2HSD17B10
SCHEMBL15698671 0.78 ALDH1A1 (0.45) ALDH1A1TRPA1GABRA1GABRB2CYP3A4
SCHEMBL7714293 0.77 CD44 (0.43) ALDH1A1CYP3A4CYP1A2CYP2D6TSHR
SCHEMBL2210594 0.76 ALDH1A1 (0.72) ALDH1A1TRPA1GABRA1GABRB2CYP3A4
SCHEMBL30688234 0.76 ALDH1A1 (0.72) ALDH1A1TRPA1GABRA1GABRB2CYP3A4
SCHEMBL28591897 0.73 ESR1 (0.40) ALDH1A1TRPA1HSD17B10KDM4EHPGD
SCHEMBL7024633 0.73 HNF4A (0.43) ALDH1A1HSD17B10HPGDF2F10

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
CN-113260509-B Laminate, optical film, image display device, and method for manufacturing same 日东电工株式会社 2023-11-03 CN disclosed