SCHEMBL1924501

SCHEMBL1924501

NC(=O)c1[nH]cc(C(=O)O)c1-c1ccc(NC(=O)Nc2ccc(F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.44
ALDH1A1 P00352 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
STING1 Q86WV6 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TAAR1 Q96RJ0 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 3/20 0.40
HTT P42858 3/20 0.40
RAB9A P51151 3/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
XBP1 P17861 1/20 0.40

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
SCHEMBL1924440 0.89 ROCK2 (0.49) GRIK1MEN1KMT2AMAPTNPC1
SCHEMBL1924247 0.88 KDR (0.47) ALDH1A1STING1MEN1KMT2AKDM4E
SCHEMBL1924738 0.87 EPHX2 (0.51) GRIK1CA12CA1CA2CA9
SCHEMBL1925903 0.86 NPC1 (0.51) GRIK1ALDH1A1CA12CA1CA2
SCHEMBL1924916 0.85 RIPK1 (0.47) GRIK1CA12CA1CA2CA9
SCHEMBL1924913 0.84 RAB9A (0.51) GRIK1CA12CA1CA2CA9
SCHEMBL1925198 0.84 MEN1 (0.47) CA12CA1CA2CA9MEN1
SCHEMBL1924413 0.84 EPHX2 (0.54) STING1MEN1KMT2AMAPTNPC1
SCHEMBL1925481 0.84 STING1 (0.47) ALDH1A1CA12CA1CA2CA9
SCHEMBL1924405 0.84 GRIK1 (0.42) GRIK1MEN1KMT2AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856043-B1 1-H-PYRROLE-2-CARBOXAMIDES AND IMIDAZOLE-5-CARBOXAMIDES AND USE THEREOF AS FAK, KDR AND TIE2 KINASE MODULATORS FOR THE TREATMENT OF CANCER AVENTIS PHARMA SA (FR) 2011-06-08 EP claimed
EP-1856043-A1 1-H-PYRROLE-2-CARBOXAMIDES AND IMIDAZOLE-5-CARBOXAMIDES AND USE THEREOF AS FAK, KDR AND TIE2 KINASE MODULATORS FOR THE TREATMENT OF CANCER Aventis Pharma S.A. (FR) 2007-11-21 EP claimed
WO-2006082309-A1 1-H-PYRROLE-2-CARBOXAMIDES AND IMIDAZOLE-5-CARBOXAMIDES AND USE THEREOF AS FAK, KDR AND TIE2 KINASE MODULATORS FOR THE TREATMENT OF CANCER AVENTIS PHARMA SA (FR) 2006-08-10 WO claimed
EP-1856043-B1 1-H-PYRROLE-2-CARBOXAMIDES AND IMIDAZOLE-5-CARBOXAMIDES AND USE THEREOF AS FAK, KDR AND TIE2 KINASE MODULATORS FOR THE TREATMENT OF CANCER AVENTIS PHARMA SA (FR) 2011-06-08 EP disclosed
EP-1856043-A1 1-H-PYRROLE-2-CARBOXAMIDES AND IMIDAZOLE-5-CARBOXAMIDES AND USE THEREOF AS FAK, KDR AND TIE2 KINASE MODULATORS FOR THE TREATMENT OF CANCER Aventis Pharma S.A. (FR) 2007-11-21 EP disclosed
WO-2006082309-A1 1-H-PYRROLE-2-CARBOXAMIDES AND IMIDAZOLE-5-CARBOXAMIDES AND USE THEREOF AS FAK, KDR AND TIE2 KINASE MODULATORS FOR THE TREATMENT OF CANCER AVENTIS PHARMA SA (FR) 2006-08-10 WO disclosed