SCHEMBL21915414

SCHEMBL21915414

c1ccc2cc3cc(-c4nsc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)n4)ccc3cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.40
▸ SNCA P37840 1/20 0.40
▸ CYP19A1 P11511 5/20 0.39
▸ HSD17B1 P14061 2/20 0.39
▸ HSD17B2 P37059 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ F2 P00734 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ TUBA1B P68363 1/20 0.35
▸ TUBA4A P68366 1/20 0.35
▸ TUBB4B P68371 1/20 0.35
▸ TUBB3 Q13509 1/20 0.35
▸ TUBB2A Q13885 1/20 0.35
▸ TUBB8 Q3ZCM7 1/20 0.35

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
SCHEMBL21915424 0.96 MAPT (0.40) MAPTSNCACYP19A1HSD17B1HSD17B2
SCHEMBL21915514 0.92 MAPT (0.37) MAPTSNCACYP19A1HSD17B1HSD17B2
SCHEMBL21916433 0.89 F2 (0.37) MAPTSNCACYP19A1HSD17B1HSD17B2
SCHEMBL17640487 0.88 CYP19A1 (0.50) MAPTSNCACYP19A1HSD17B1HSD17B2
SCHEMBL21915858 0.87 HSD17B1 (0.38) MAPTSNCACYP19A1HSD17B1HSD17B2
SCHEMBL21915289 0.86 HSD17B1 (0.46) MAPTSNCACYP19A1HSD17B1HSD17B2
SCHEMBL21916394 0.84 MAPT (0.32) MAPTSNCACYP19A1HSD17B1HSD17B2
SCHEMBL21915412 0.82 KDM4E (0.38) MAPTSNCACYP19A1HSD17B1HSD17B2
SCHEMBL21915369 0.82 MAPT (0.37) MAPTSNCACYP19A1HSD17B1HSD17B2
SCHEMBL17640568 0.81 CYP19A1 (0.45) 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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