SCHEMBL21915548

SCHEMBL21915548

c1ccc(N2c3ccccc3N(c3ccc(-c4nc(-c5ccc6c(c5)-c5cccc7cccc-6c57)ns4)cc3)c3ccccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE6D O43924 1/20 0.40
▸ HSD17B1 P14061 2/20 0.38
▸ HSD17B2 P37059 2/20 0.38
▸ MAPT P10636 2/20 0.36
▸ SNCA P37840 1/20 0.36
▸ CYP19A1 P11511 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ TSHR P16473 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL21915380 0.89 HSD17B1 (0.35) PDE6DHSD17B1HSD17B2MAPTSNCA
SCHEMBL21915501 0.87 HSD17B1 (0.49) HSD17B1HSD17B2MAPTSNCACYP19A1
SCHEMBL21915161 0.87 HSD17B1 (0.36) PDE6DHSD17B1HSD17B2MAPTSNCA
SCHEMBL21915233 0.83 HSD17B1 (0.38) PDE6DHSD17B1HSD17B2MAPTSNCA
SCHEMBL21915191 0.82 HSD17B1 (0.37) PDE6DHSD17B1HSD17B2MAPTSNCA
SCHEMBL17640569 0.82 CYP19A1 (0.51) PDE6DHSD17B1HSD17B2MAPTSNCA
SCHEMBL21915519 0.81 HSD17B1 (0.37) HSD17B1HSD17B2MAPTSNCACYP19A1
SCHEMBL21915701 0.81 HSD17B1 (0.51) HSD17B1HSD17B2MAPTSNCACYP19A1
SCHEMBL17640631 0.80 CYP19A1 (0.50) PDE6DHSD17B1HSD17B2MAPTSNCA
SCHEMBL17640556 0.80 CYP19A1 (0.50) PDE6DHSD17B1HSD17B2MAPTSNCA

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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