SCHEMBL8545255

SCHEMBL8545255

CC(=O)c1cc([N+](=O)[O-])cc2c1OCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.43
ALDH1A1 P00352 6/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 3/20 0.38
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 3/20 0.36
SIRT2 Q8IXJ6 2/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 2/20 0.34
KDM4E B2RXH2 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
SCHEMBL29814344 1.00 PARP1 (0.43) PARP1ALDH1A1MEN1KMT2ACA12
SCHEMBL727921 0.87 PARP1 (0.44) PARP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8545671 0.79 ALDH1A1 (0.46) PARP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29814593 0.79 KDM4E (0.40) PARP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21588776 0.79 KDM4E (0.40) PARP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL29814297 0.78 GPR35 (0.43) PARP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8550097 0.78 GPR35 (0.43) PARP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7484667 0.78 ALDH1A1 (0.42) PARP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5032923 0.76 PARP1 (0.49) PARP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10580640 0.76 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019233458-A1 VEGFR INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏威凯尔医药科技有限公司 (CN) 2019-12-12 WO disclosed
EP-0736025-B1 DYHYDROBENZOFURANYL-BIPHENYL CARBOXAMIDES HAVING 5HT1D ANTAGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1998-07-22 EP disclosed
US-5700818-A Dihydrobenzofuranyl-biphenyl carboxamides having 5HT1D antagonistic activity SMITHKLINE BEECHAM P.L.C. (GB) 1997-12-23 US disclosed
EP-0736025-A1 DYHYDROBENZOFURANYL-BIPHENYL CARBOXAMIDES HAVING 5HT 1D? ANTAGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1996-10-09 EP disclosed
WO-1995017401-A1 DYHYDROBENZOFURANYL-BIPHENYL CARBOXAMIDES HAVING 5HT1D ANTAGONISTIC ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-06-29 WO disclosed