SCHEMBL10071933

SCHEMBL10071933

C1=CC(c2cccc(-c3c4ccccc4c(-c4cccc5c4sc4ccccc45)c4ccccc34)c2)=CCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.41
▸ PARP14 Q460N5 1/20 0.34
▸ PRKDC P78527 8/20 0.34
▸ PIK3CD O00329 2/20 0.33
▸ PIK3CB P42338 2/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ BRDT Q58F21 1/20 0.33
▸ TNKS O95271 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32

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
SCHEMBL12345331 0.84 GPR3 (0.35) ALOX5
SCHEMBL1755426 0.81 PRKDC (0.36) PRKDC
SCHEMBL124850 0.80 ALOX5 (0.51) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL25567682 0.78 ALOX5 (0.38) ALOX5PRKDC
SCHEMBL14733139 0.78 ALOX5 (0.39) ALOX5PARP14PRKDCTNKSTNKS2
SCHEMBL21131674 0.77 ALOX5 (0.51) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL126450 0.77 ALOX5 (0.53) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL126658 0.76 ALOX5 (0.51) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL10071935 0.76 ALOX5 (0.41) ALOX5PARP14PRKDCPIK3CDPIK3CB
SCHEMBL23427856 0.76 ALOX5 (0.56) ALOX5PARP14PRKDCPIK3CDPIK3CB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423206-B1 AROMATIC AMINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME IDEMITSU KOSAN CO (JP) 2014-01-08 — — EP disclosed
EP-2423179-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME Idemitsu Kosan Co., Ltd. (JP) 2012-02-29 — — EP disclosed
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