SCHEMBL15318799

SCHEMBL15318799

O=[N+]([O-])c1ccc(Cl)nc1-c1cccc2c1sc1ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP14 Q460N5 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ TXNRD1 Q16881 3/20 0.38
▸ GSR P00390 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ CYP19A1 P11511 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ PRKDC P78527 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ F2 P00734 1/20 0.36
▸ C1R P00736 1/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ KLK3 P07288 1/20 0.35
▸ TDP1 Q9NUW8 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PTPRC P08575 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
SCHEMBL15318845 0.80 POLB (0.47) PARP14ALOX5ALDH1A1CYP19A1CASP6
SCHEMBL15318809 0.78 TXNRD1 (0.38) TXNRD1GSRALDH1A1CASP6MEN1
SCHEMBL4554958 0.78 PARP14 (0.42) PARP14ALOX5CYP19A1PRKDCMEN1
SCHEMBL4554345 0.77 PARP14 (0.49) PARP14ALOX5ALDH1A1PRKDCMEN1
SCHEMBL16919494 0.77 PARP14 (0.43) PARP14ALOX5ALDH1A1CYP19A1CASP6
SCHEMBL16218716 0.76 ALDH1A1 (0.46) PARP14ALOX5ALDH1A1CYP19A1CASP6
SCHEMBL4554339 0.75 PARP14 (0.42) PARP14ALOX5ALDH1A1PRKDCMAPT
SCHEMBL17985436 0.74 TDP1 (0.53) PARP14ALDH1A1CYP19A1CASP6MEN1
SCHEMBL11833665 0.73 TXNRD1 (0.44) TXNRD1GSRALDH1A1CASP6MAPT
SCHEMBL8815910 0.72 PARP14 (0.42) PARP14ALOX5ALDH1A1CYP19A1PRKDC

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
WO-2013147427-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2013-10-03 — — WO disclosed
WO-2013147427-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2013-10-03 — — WO disclosed
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