SCHEMBL13199028

SCHEMBL13199028

CCc1ccc(OC)c(-c2csc(NC(=O)N3CCN(CC4CCCN(C)C4)CC3)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.47
KCNH2 Q12809 3/20 0.47
ROCK1 Q13464 1/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CCR3 P51677 2/20 0.40
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 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
SCHEMBL13198980 0.94 CCR2 (0.46) CCR2KCNH2ROCK1KMT2AMAPT
SCHEMBL13199010 0.93 CCR2 (0.45) CCR2KCNH2ROCK1KMT2AMAPT
SCHEMBL13199021 0.93 CCR2 (0.45) CCR2KCNH2ROCK1KMT2AMAPT
SCHEMBL13199035 0.92 CCR2 (0.46) CCR2KCNH2ROCK1KMT2AMAPT
SCHEMBL13199038 0.91 CCR2 (0.49) CCR2KCNH2ROCK1KMT2AMAPT
SCHEMBL13199022 0.89 CCR2 (0.46) CCR2KCNH2ROCK1KMT2AMAPT
SCHEMBL13199025 0.89 CCR2 (0.47) CCR2KCNH2ROCK1KMT2AMAPT
SCHEMBL13199013 0.89 CCR2 (0.47) CCR2KCNH2ROCK1KMT2AMAPT
SCHEMBL13199023 0.88 CCR2 (0.46) CCR2KCNH2ROCK1KMT2AMAPT
SCHEMBL13199024 0.88 CCR2 (0.46) CCR2KCNH2ROCK1KMT2AMAPT

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
US-7767681-B2 2-Carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-08-03 US disclosed
US-7767681-B2 2-Carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-08-03 US disclosed