SCHEMBL1923919

SCHEMBL1923919

NC(=O)c1[nH]cc(C(=O)O)c1-c1ccc(N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
KMT2A Q03164 3/20 0.37
GFER P55789 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAP2 P11137 3/20 0.36
ALPL P05186 1/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 4/20 0.36
RECQL P46063 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
MEN1 O00255 2/20 0.36
THRB P10828 2/20 0.36
CYP3A4 P08684 2/20 0.36
MCL1 Q07820 2/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 2/20 0.36
PTPN1 P18031 2/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36

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
Hydrochloric Acid SCHEMBL4472305 0.98 MAPT (0.39) KDM4EKMT2AGFERRXFP1MAP2
SCHEMBL12535823 0.82 SMN1; SMN2 (0.43) ALPLMAPTALDH1A1MCL1HPGD
SCHEMBL1924226 0.81 TSHR (0.45) KMT2AGFERMAPTALDH1A1TDP1
SCHEMBL12535824 0.80 MCL1 (0.48) KMT2AMAPTALDH1A1MEN1MCL1
SCHEMBL1923765 0.79 CDK8 (0.43) MAP2KDRCCNCCDK8PRKAA1
SCHEMBL12535822 0.79 PRKAB2 (0.34) KMT2AMAP2MAPTALDH1A1MEN1
SCHEMBL4488854 0.79 JAK2 (0.54) KMT2AMAPTALDH1A1MEN1CYP3A4
SCHEMBL1924247 0.77 KDR (0.47) KDM4EKMT2AGFERMAPTALDH1A1
SCHEMBL1924501 0.77 GRIK1 (0.44) KDM4EKMT2AMAPTALDH1A1MEN1
SCHEMBL1924913 0.74 RAB9A (0.51) KDM4EKMT2AMAPTMEN1CYP3A4

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 3 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 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