SCHEMBL6509108

SCHEMBL6509108

COc1ccc(C(N)=O)c(-c2ccccc2)c1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
FABP3 P05413 1/20 0.45
FABP4 P15090 1/20 0.45
FABP5 Q01469 1/20 0.45
EDNRA P25101 1/20 0.42
CHEK1 O14757 1/20 0.41
BCAT2 O15382 1/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL23361670 0.86 FABP3 (0.51) MKNK1MKNK2FABP3FABP4FABP5
SCHEMBL31653573 0.83 FABP4 (0.46) MKNK1MKNK2FABP3FABP4FABP5
SCHEMBL9765827 0.83 MAPT (0.49) MKNK1MKNK2FABP3FABP4FABP5
SCHEMBL529977 0.83 FABP4 (0.46) MKNK1MKNK2FABP3FABP4FABP5
SCHEMBL28932372 0.82 FABP3 (0.45) MKNK1MKNK2FABP3FABP4FABP5
SCHEMBL529975 0.80 FABP3 (0.49) MKNK1MKNK2FABP3FABP4FABP5
SCHEMBL2362774 0.80 FABP3 (0.58) FABP3FABP4FABP5BCAT2HPGD
SCHEMBL5582520 0.78 HK2 (0.48) MKNK1MKNK2FABP3FABP4FABP5
SCHEMBL5479516 0.77 FABP3 (0.41) MKNK1MKNK2FABP3FABP4FABP5
SCHEMBL5517158 0.77 FABP3 (0.46) MKNK1MKNK2FABP3FABP4FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005042496-A1 (BENZIMIDAZOL-2-YL)-PHENYL-BENZYL-AMINE DERIVATIVES AND METHODS FOR INHIBITING HEPARANASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-05-12 WO disclosed