SCHEMBL21915580

SCHEMBL21915580

c1cc(-c2nc(-c3cccc4c3oc3ccccc34)ns2)cc(N2c3ccccc3Sc3cc(-c4cccc5c4oc4ccccc45)ccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.39
▸ PRKDC P78527 1/20 0.35
▸ GGPS1 O95749 1/20 0.33
▸ TP53 P04637 2/20 0.32
▸ PTGES2 Q9H7Z7 1/20 0.31
▸ HSD17B1 P14061 2/20 0.31
▸ HSD17B2 P37059 2/20 0.31
▸ KDM4E B2RXH2 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
SCHEMBL21915593 0.86 HSD17B1 (0.31) TP53HSD17B1HSD17B2
SCHEMBL21915538 0.86 ALOX5 (0.39) ALOX5PRKDCGGPS1TP53PTGES2
SCHEMBL21915588 0.81 ALOX5 (0.33) ALOX5PRKDC
SCHEMBL15470296 0.80 ALOX5 (0.44) ALOX5PRKDCGGPS1TP53PTGES2
SCHEMBL21915589 0.80 ALOX5 (0.39) ALOX5PRKDCHSD17B1HSD17B2KDM4E
SCHEMBL21915402 0.79 HSD17B1 (0.35) TP53HSD17B1HSD17B2KDM4E
SCHEMBL21915499 0.79 HSD17B1 (0.33) HSD17B1HSD17B2
SCHEMBL21915371 0.79 ALOX5 (0.41) ALOX5PRKDCGGPS1PTGES2HSD17B1
SCHEMBL17278624 0.79 ALOX5 (0.41) ALOX5PRKDCGGPS1PTGES2KDM4E
SCHEMBL21915426 0.78 HSD17B1 (0.43) HSD17B1HSD17B2KDM4E

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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