SCHEMBL28357616

SCHEMBL28357616

NCc1ccc(-c2cc3ccccc3s2)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.69
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
CYP2A6 P11509 2/20 0.55
ASIC3 Q9UHC3 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.55
HSD17B1 P14061 1/20 0.53
HSD17B2 P37059 1/20 0.53
TAAR1 Q96RJ0 1/20 0.48
ERN1 O75460 2/20 0.48
LTA4H P09960 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
HDAC2 Q92769 1/20 0.44
TPSAB1 Q15661 1/20 0.43
AGXT P21549 1/20 0.42
CD274 Q9NZQ7 1/20 0.41

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
SCHEMBL28357471 0.88 APP (0.58) APPCA1CA2CA9CYP2A6
SCHEMBL32677328 0.87 APP (0.81) APPCA1CA2CA9CYP2A6
SCHEMBL27159530 0.87 APP (0.81) APPCA1CA2CA9CYP2A6
SCHEMBL4910282 0.84 APP (0.67) APPCA1CA2CA9CYP2A6
SCHEMBL13766429 0.84 APP (0.62) APPCA1CA2CA9CYP2A6
SCHEMBL4909636 0.84 APP (0.62) APPCA1CA2CA9CYP2A6
SCHEMBL13908933 0.81 APP (1.00) APPCA1CA2CA9CYP2A6
SCHEMBL23555697 0.81 APP (0.72) APPCA1CA2CA9CYP2A6
SCHEMBL5768436 0.81 APP (0.72) APPCA1CA2CA9CYP2A6
SCHEMBL29766071 0.81 APP (0.71) APPCA1CA2CA9CYP2A6

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-110483475-A A kind of method that silver oxide catalysis method prepares benzothiophenes UNIV SHAOXING 2019-11-22 CN disclosed