SCHEMBL21915244

SCHEMBL21915244

CC1(C)c2ccccc2N(c2ccc(-c3nc(-c4cccc5c4oc4ccccc45)ns3)cc2)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.35
▸ PRKDC P78527 2/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CB P42338 1/20 0.32

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
SCHEMBL17640618 0.85 MAPT (0.35) —
SCHEMBL17278555 0.84 ALOX5 (0.37) ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL17278561 0.84 ALOX5 (0.40) ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL21915240 0.83 ALOX5 (0.35) ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL21915203 0.83 MAPT (0.34) —
SCHEMBL13557572 0.81 ALOX5 (0.44) ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL21915245 0.81 PGR (0.32) —
SCHEMBL21915237 0.81 HSD17B1 (0.31) —
SCHEMBL19499753 0.80 CYP19A1 (0.44) —
SCHEMBL17640633 0.80 CYP19A1 (0.32) —

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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