SCHEMBL21915240

SCHEMBL21915240

O=S1(=O)c2ccccc2N(c2ccc(-c3nc(-c4cccc5c4oc4ccccc45)ns3)cc2)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.35
▸ PRKDC P78527 3/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ GGPS1 O95749 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PTPRF P10586 1/20 0.30
▸ PTPN2 P17706 1/20 0.30
▸ PTPN1 P18031 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
SCHEMBL21915587 0.83 CYP19A1 (0.36) —
SCHEMBL21915244 0.83 ALOX5 (0.35) ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL21916407 0.83 MAPT (0.34) —
SCHEMBL21916391 0.80 CYP19A1 (0.44) NPC1RAB9A
SCHEMBL21915850 0.79 ALOX5 (0.38) ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL21915473 0.77 CYP19A1 (0.41) NPC1RAB9A
SCHEMBL21915230 0.76 MAPT (0.34) —
SCHEMBL21915616 0.76 CYP19A1 (0.38) —
SCHEMBL21915846 0.75 ALOX5 (0.44) ALOX5PRKDCPIK3CDPIK3CBGGPS1
SCHEMBL21915301 0.74 ALOX5 (0.41) ALOX5PRKDCPIK3CDPIK3CBGGPS1

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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