SCHEMBL21915230

SCHEMBL21915230

O=S1(=O)c2ccccc2N(c2ccc(-c3nc(-c4ccc5ccc6ccccc6c5c4)ns3)cc2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.34
▸ SNCA P37840 1/20 0.34
▸ CYP19A1 P11511 2/20 0.34
▸ HSD17B1 P14061 2/20 0.34
▸ HSD17B2 P37059 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL21916391 0.88 CYP19A1 (0.44) MAPTSNCACYP19A1HSD17B1HSD17B2
SCHEMBL21915587 0.86 CYP19A1 (0.36) MAPTCYP19A1HSD17B1HSD17B2
SCHEMBL21915242 0.85 HSD17B1 (0.32) CYP19A1HSD17B1HSD17B2
SCHEMBL21915473 0.84 CYP19A1 (0.41) MAPTSNCACYP19A1HSD17B1HSD17B2
SCHEMBL21915617 0.83 HSD17B1 (0.36) MAPTSNCACYP19A1HSD17B1HSD17B2
SCHEMBL21916407 0.82 MAPT (0.34) MAPTSNCACYP19A1HSD17B1HSD17B2
SCHEMBL21915614 0.81 HSD17B1 (0.36) MAPTSNCACYP19A1HSD17B1HSD17B2
SCHEMBL21915581 0.81 HSD17B1 (0.41) MAPTSNCACYP19A1HSD17B1HSD17B2
SCHEMBL21915234 0.81 HSD17B1 (0.43) MAPTSNCACYP19A1HSD17B1HSD17B2
SCHEMBL21915616 0.81 CYP19A1 (0.38) MAPTSNCACYP19A1HSD17B1HSD17B2

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
WO-2020062375-A1 1,2,4-THIADIAZOLE COMPOUNDS AND PREPARATION METHOD THEREFOR AND USE THEREOF 武汉尚赛光电科技有限公司 2020-04-02 — — WO disclosed
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