SCHEMBL17039395

SCHEMBL17039395

c1ccc2c(c1)ccc1c2c2ccccc2n1-c1nc(-c2cccc3c2sc2ccccc23)c2ccccn12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 2/20 0.35
▸ ALOX5 P09917 1/20 0.33
▸ HIF1A Q16665 1/20 0.32
▸ EPAS1 Q99814 1/20 0.32
▸ ADK P55263 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PARP14 Q460N5 1/20 0.31

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
SCHEMBL17039381 0.89 PRKDC (0.39) PRKDCALOX5HIF1AEPAS1ADK
SCHEMBL17039406 0.86 ALDH1A1 (0.33) HIF1AEPAS1
SCHEMBL17039390 0.84 HIF1A (0.31) HIF1AEPAS1
SCHEMBL17039499 0.81 ALOX5 (0.37) PRKDCALOX5HIF1AEPAS1ADK
SCHEMBL17039391 0.80 ENPP3 (0.36) HIF1AEPAS1
SCHEMBL17039399 0.79 KDM4E (0.35) —
SCHEMBL14233145 0.78 ALOX5 (0.33) PRKDCALOX5ADKPIK3CDPIK3CB
SCHEMBL17039388 0.78 RAD51 (0.36) —
SCHEMBL16613394 0.77 PRKDC (0.32) PRKDCALOX5ADKPIK3CDPIK3CB
SCHEMBL17039397 0.77 — —

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-2015126161-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 — — WO disclosed
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