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SCHEMBL21915536

SCHEMBL21915536

c1ccc2cc(-c3ccc4c(c3)Oc3cc(-c5ccc6ccccc6c5)ccc3N4c3ccc(-c4nsc(-c5cccc6c5oc5ccccc56)n4)cc3)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PRKDC P78527 3/20 0.32
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CB P42338 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
SCHEMBL21915588 0.87 ALOX5 (0.33) ALOX5NPC1CYP1A2CYP2C9CYP2C19
SCHEMBL21915850 0.82 ALOX5 (0.38) ALOX5CYP1A2CYP2C9CYP2C19PRKDC
SCHEMBL21915383 0.81 ALOX5 (0.35) ALOX5PRKDC
SCHEMBL21915594 0.81 ALOX5 (0.36) ALOX5CYP1A2CYP2C9CYP2C19PRKDC
SCHEMBL21915531 0.80 HSD17B1 (0.40) CYP1A2
SCHEMBL21915527 0.80 HSD17B1 (0.38) CYP1A2
SCHEMBL21915619 0.79 HSD17B1 (0.37) NPC1CYP1A2CYP2C19RAB9APRKDC
SCHEMBL21915538 0.78 ALOX5 (0.39) ALOX5PRKDC
SCHEMBL21915388 0.78 HSD17B1 (0.38) NPC1RAB9A
SCHEMBL15470261 0.77 ALOX5 (0.47) ALOX5CYP1A2CYP2C9CYP2C19PRKDC

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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