SCHEMBL25639923

SCHEMBL25639923

c1ccc(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2cccc3sc4ccc5c6cc7ccccc7cc6oc5c4c23)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 3/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ ESR2 Q92731 2/20 0.31
▸ PIK3CD O00329 2/20 0.30
▸ PIK3CB P42338 2/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ MTOR P42345 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ BRDT Q58F21 1/20 0.30
▸ ESR1 P03372 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
SCHEMBL25639886 0.91 F9 (0.31) —
SCHEMBL25639918 0.91 — —
SCHEMBL25640297 0.90 PRKDC (0.38) PRKDCALOX5ESR2PIK3CDPIK3CB
SCHEMBL25640564 0.90 PRKDC (0.37) PRKDCALOX5ESR2PIK3CDPIK3CB
SCHEMBL25639916 0.89 ALOX5 (0.38) PRKDCALOX5
SCHEMBL25639847 0.89 ALOX5 (0.35) PRKDCALOX5PIK3CDPIK3CB
SCHEMBL25640000 0.88 ALOX5 (0.36) PRKDCALOX5PIK3CDPIK3CB
SCHEMBL25639901 0.88 ESR2 (0.30) ESR2
SCHEMBL25639894 0.88 ALDH1A1 (0.30) ESR2
SCHEMBL25639878 0.88 — —

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-2023113334-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DIODE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2023-06-22 — — WO disclosed
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