SCHEMBL5513258

SCHEMBL5513258

NC(=O)n1c(OCc2ccccc2)cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.43
KDR P35968 3/20 0.43
PDGFRB P09619 2/20 0.43
CCR2 P41597 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX5 P09917 1/20 0.41
SRD5A2 P31213 1/20 0.40
PLK1 P53350 1/20 0.40
PLA2G10 O15496 2/20 0.40
KDM5A P29375 2/20 0.39
KDM4C Q9H3R0 2/20 0.39
NR4A2 P43354 2/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A3 Q92570 1/20 0.39
SPHK2 Q9NRA0 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
SCHEMBL5511085 0.82 NOD2 (0.44) KDRPDGFRBMEN1KMT2A
SCHEMBL8542851 0.77 ALOX5 (0.46) CCR2MEN1KMT2AALOX5MAOA
SCHEMBL28442955 0.73 CCR2 (0.53) CCR2MEN1KMT2AALOX5
SCHEMBL11959128 0.71 PTGER1 (0.41) CCR2MEN1KMT2ASRD5A2
Benzene SCHEMBL28136154 0.70 KDR (0.50) KDRPDGFRBMEN1KMT2A
SCHEMBL8679771 0.70 KDR (0.49) KDRPDGFRBCCR2
SCHEMBL28193714 0.69 KDR (0.72) KDRPDGFRBKMT2A
SCHEMBL7958583 0.69 PLA2G10 (0.51) CCR2SRD5A2PLA2G10
SCHEMBL7170567 0.69 KDM1A (0.48) CCR2MEN1KMT2AKDM1AMAOA
SCHEMBL3831363 0.69 KDM1A (0.56) CCR2MEN1KMT2ASRD5A2PLA2G10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791537-A1 3-ARYLTHIOINDOLE-2-CARBOXAMIDE DERIVATIVES AND ANALOGS THEREOF AS INHIBITORS OF CASEIN KINASE I Aventis Pharmaceuticals, Inc. (US) 2007-06-06 EP disclosed
WO-2006023590-A1 3-ARYLTHIOINDOLE-2-CARBOXAMIDE DERIVATIVES AND ANALOGS THEREOF AS INHIBITORS OF CASEIN KINASE Iϵ AVENTIS PHARMACEUTICALS INC. (US) 2006-03-02 WO disclosed