SCHEMBL1925378

SCHEMBL1925378

Nc1ccc(-c2cc[nH]c2C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
ALPL P05186 1/20 0.40
CYP3A4 P08684 5/20 0.36
TDP1 Q9NUW8 5/20 0.36
ALDH1A1 P00352 4/20 0.36
TP53 P04637 1/20 0.36
AURKA O14965 2/20 0.36
TPX2 Q9ULW0 2/20 0.36
HSD17B10 Q99714 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
KDM4E B2RXH2 4/20 0.33
KMT2A Q03164 3/20 0.33
GFER P55789 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
RECQL P46063 3/20 0.33
POLB P06746 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
IKBKB O14920 1/20 0.33

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
SCHEMBL1925897 0.85 CCNC (0.39) MAPTALPLCYP3A4TDP1ALDH1A1
SCHEMBL1330600 0.82 MAPT (0.48) MAPTALDH1A1KDM4EPOLBHPGD
SCHEMBL15511168 0.81 AURKA (0.53) MAPTALPLALDH1A1TP53AURKA
SCHEMBL17925960 0.81 BCL2L1 (0.47) ALPLPTGS2
SCHEMBL4472371 0.80 ALDH1A1 (0.39) MAPTCYP3A4ALDH1A1TP53HSD17B10
SCHEMBL9223952 0.77 HNF4A (0.44) MAPTALDH1A1HSD17B10KDM4EPOLB
SCHEMBL20568173 0.76 RXRA (0.46) ALDH1A1AURKATPX2HSD17B10KDM4E
SCHEMBL1924431 0.76 TDP1 (0.49) MAPTTDP1ALDH1A1KDM4EKMT2A
SCHEMBL27688578 0.74 MAPT (0.38) MAPTALPLCYP3A4TDP1ALDH1A1
SCHEMBL17604415 0.72 BCAT2 (0.50) MAPTCYP3A4TDP1AURKAHSD17B10

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
EP-2794569-A1 HETEROCYCLIC UREA COMPOUNDS Biota Europe Ltd (GB) 2014-10-29 EP disclosed
WO-2013091011-A1 HETEROCYCLIC UREA COMPOUNDS BIOTA EUROPE LTD (GB) 2013-06-27 WO disclosed
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