SCHEMBL14653418

SCHEMBL14653418

Bc1ccc(-c2cccc3c2sc2ccccc23)c([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP14 Q460N5 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ PRKDC P78527 4/20 0.38
▸ PIK3CD O00329 2/20 0.37
▸ PIK3CB P42338 2/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ BRDT Q58F21 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ SLC9A1 P19634 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL4554345 0.85 PARP14 (0.49) PARP14ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL10043646 0.85 PARP14 (0.42) PARP14ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL4554339 0.85 PARP14 (0.42) PARP14ALOX5PRKDCLMNAALDH1A1
SCHEMBL14653421 0.84 ALOX5 (0.47) PARP14ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL26549518 0.82 ALOX5 (0.41) PARP14ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL26536408 0.81 ALOX5 (0.45) PARP14ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL16482513 0.80 PARP14 (0.39) PARP14ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL26536378 0.77 ALOX5 (0.41) PARP14ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL8815910 0.77 PARP14 (0.42) PARP14ALOX5PRKDCPIK3CDPIK3CB
SCHEMBL4554958 0.77 PARP14 (0.42) PARP14ALOX5PRKDCPIK3CDPIK3CB

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-2013012296-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-01-24 — — WO disclosed
Send feedback