SCHEMBL8550097

SCHEMBL8550097

O=[N+]([O-])c1cc(O)c2c(c1)CCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TTR P02766 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
RECQL P46063 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL29814297 1.00 GPR35 (0.43) GPR35MEN1KMT2AALDH1A1HPGD
SCHEMBL10580640 0.81 ALDH1A1 (0.41) GPR35MEN1KMT2AALDH1A1HPGD
SCHEMBL7484667 0.80 ALDH1A1 (0.42) GPR35MEN1KMT2AALDH1A1MAPK1
SCHEMBL15427979 0.80 ALDH1A1 (0.48) GPR35MEN1KMT2AALDH1A1MAPK1
SCHEMBL1979879 0.80 PARP1 (0.41) GPR35MEN1KMT2AALDH1A1HPGD
SCHEMBL8550301 0.80 GPR35 (0.41) GPR35MEN1KMT2AALDH1A1KDM4E
SCHEMBL8117804 0.80 ALDH1A1 (0.42) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL7084146 0.80 MEN1 (0.46) MEN1KMT2AALDH1A1HPGDHTT
SCHEMBL727921 0.80 PARP1 (0.44) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL29814344 0.78 PARP1 (0.43) MEN1KMT2AALDH1A1HPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112010864-B Vascular endothelial growth factor receptor inhibitor and preparation method and application thereof 江苏威凯尔医药科技有限公司 2022-08-26 CN disclosed
CN-110577546-B VEGFR inhibitor and preparation method and application thereof 江苏威凯尔医药科技有限公司 2021-09-07 CN disclosed
CN-112010864-A Vascular endothelial growth factor receptor inhibitor and preparation method and application thereof 江苏威凯尔医药科技有限公司 2020-12-01 CN disclosed
CN-110577546-A VEGFR inhibitor and preparation method and application thereof 江苏威凯尔医药科技有限公司 2019-12-17 CN 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