SCHEMBL115602

SCHEMBL115602

[C]c1cccc2ncsc12

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
PRMT5 O14744 1/20 0.31

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
SCHEMBL30081471 0.78 ALDH1A1 (0.45) ALDH1A1HSD17B10OPRM1OPRL1
SCHEMBL115601 0.78 ALDH1A1 (0.45) ALDH1A1HSD17B10OPRM1OPRL1
SCHEMBL9853741 0.74 ALDH1A1 (0.45) ALDH1A1HSD17B10OPRM1OPRL1PRMT5
SCHEMBL659126 0.74 ALDH1A1 (0.45) ALDH1A1HSD17B10OPRM1OPRL1PRMT5
SCHEMBL928489 0.74 ALDH1A1 (0.45) ALDH1A1HSD17B10PRMT5
SCHEMBL5562354 0.74 ALDH1A1 (0.45) ALDH1A1HSD17B10OPRM1OPRL1PRMT5
SCHEMBL288616 0.74 ALDH1A1 (0.45) ALDH1A1HSD17B10OPRM1OPRL1PRMT5
SCHEMBL2093035 0.74 ALDH1A1 (0.45) ALDH1A1HSD17B10PRMT5
SCHEMBL6972765 0.74 ALDH1A1 (0.45) ALDH1A1HSD17B10OPRM1OPRL1PRMT5
SCHEMBL29806829 0.74 ALDH1A1 (0.45) ALDH1A1HSD17B10PRMT5

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
EP-2424838-A1 PESTICIDAL ARYLPYRROLIDINES Bayer CropScience AG (DE) 2012-03-07 EP disclosed
WO-2010124845-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-11-04 WO disclosed