SCHEMBL25640636

SCHEMBL25640636

c1ccc(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2ccc3c(c2)sc2ccc4c5ccc6ccccc6c5oc4c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.38
▸ PRKDC P78527 6/20 0.35
▸ CYP1A1 P04798 3/20 0.32
▸ CYP1A2 P05177 3/20 0.32
▸ CYP1B1 Q16678 3/20 0.32
▸ PIK3CD O00329 2/20 0.31
▸ PIK3CB P42338 2/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ BRDT Q58F21 1/20 0.31
▸ PARP14 Q460N5 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ PDE5A O76074 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ ABCB1 P08183 1/20 0.30
▸ CYP3A4 P08684 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
SCHEMBL25640653 0.91 CYP1A1 (0.35) PRKDCCYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL25640627 0.90 CYP1A1 (0.36) PRKDCCYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL25640657 0.89 HPGD (0.34) PRKDCCYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL25640564 0.89 PRKDC (0.37) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL25640977 0.89 ALOX5 (0.37) ALOX5PRKDCCYP1A1CYP1A2CYP1B1
SCHEMBL25640045 0.88 ALOX5 (0.38) ALOX5PRKDCPIK3CDPIK3CBBRD4
SCHEMBL25640000 0.88 ALOX5 (0.36) ALOX5PRKDCCYP1A1CYP1A2CYP1B1
SCHEMBL25640659 0.88 CYP1A1 (0.35) PRKDCCYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL25886317 0.88 ALOX5 (0.42) ALOX5PRKDCCYP1A1CYP1A2CYP1B1
SCHEMBL25640421 0.87 CYP1A1 (0.35) PRKDCCYP1A1CYP1A2CYP1B1KDM4E

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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