SCHEMBL25640000

SCHEMBL25640000

c1ccc(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2cccc3sc4ccc5c6ccc7ccccc7c6oc5c4c23)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.36
▸ PRKDC P78527 3/20 0.33
▸ PIK3CD O00329 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ ARSA P15289 1/20 0.30
▸ CDC25A P30304 1/20 0.30
▸ CDC25C P30307 1/20 0.30
▸ IKBKB O14920 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
SCHEMBL25640977 0.94 ALOX5 (0.37) ALOX5PRKDCPIK3CDPIK3CBCYP1A1
SCHEMBL25639963 0.91 CA12 (0.34) PRKDCCYP1A1CYP1A2CYP1B1ARSA
SCHEMBL25639994 0.91 CYP1A1 (0.35) PRKDCCYP1A1CYP1A2CYP1B1ARSA
SCHEMBL25639847 0.91 ALOX5 (0.35) ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL24887270 0.90 ALOX5 (0.40) ALOX5PRKDCPIK3CDPIK3CBCYP1A1
SCHEMBL25639956 0.89 CA12 (0.33) PRKDCCYP1A1CYP1A2CYP1B1ARSA
SCHEMBL25639923 0.88 PRKDC (0.37) ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL25639954 0.88 CYP1A1 (0.36) PRKDCCYP1A1CYP1A2CYP1B1IKBKB
SCHEMBL25640636 0.88 ALOX5 (0.38) ALOX5PRKDCPIK3CDPIK3CBCYP1A1
SCHEMBL17383166 0.88 ALOX5 (0.40) ALOX5PRKDCPIK3CDPIK3CBCYP1A1

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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