SCHEMBL13199019

SCHEMBL13199019

COc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)N2CCN(CC3CCN(C)CC3)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
LMNA P02545 3/20 0.45
ROCK1 Q13464 1/20 0.44
POLB P06746 1/20 0.42
THRB P10828 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MCHR1 Q99705 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPK1 P28482 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
SCHEMBL13199008 0.99 ROCK1 (0.45) MAPTLMNAROCK1POLBTHRB
SCHEMBL13199023 0.92 CCR2 (0.46) MAPTLMNAROCK1THRBHTT
SCHEMBL13199018 0.92 ROCK1 (0.43) MAPTLMNAROCK1POLBTHRB
SCHEMBL13199024 0.92 CCR2 (0.46) MAPTLMNAROCK1THRBHTT
SCHEMBL13198990 0.92 CCR2 (0.46) MAPTLMNAROCK1THRBHTT
SCHEMBL13199025 0.92 CCR2 (0.47) MAPTLMNAROCK1THRBHTT
SCHEMBL13199013 0.92 CCR2 (0.47) MAPTLMNAROCK1THRBHTT
SCHEMBL13198806 0.89 ROCK1 (0.44) MAPTLMNAROCK1POLBTHRB
SCHEMBL3585639 0.88 ROCK1 (0.42) MAPTLMNAROCK1THRBHTT
SCHEMBL3585634 0.88 ROCK1 (0.42) MAPTLMNAROCK1THRBHTT

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