SCHEMBL13374010

SCHEMBL13374010

Cc1cc(N)c(NC(=O)c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)cc1C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 3/20 0.41
NR1H2 P55055 1/20 0.40
C5AR1 P21730 3/20 0.38
EP300 Q09472 2/20 0.38
CREBBP Q92793 2/20 0.38
F12 P00748 3/20 0.38
NAMPT P43490 1/20 0.37
ESR2 Q92731 1/20 0.36
ADORA1 P30542 2/20 0.36
HDAC2 Q92769 2/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL5951628 0.93 RBP4 (0.39) RBP4NR1H2C5AR1EP300CREBBP
SCHEMBL5952792 0.85 RBP4 (0.45) RBP4NR1H2EP300CREBBP
SCHEMBL5070030 0.83 F12 (0.41) NR1H2C5AR1F12ESR2ADORA1
SCHEMBL29386147 0.80 RBP4 (0.42) RBP4NR1H2EP300CREBBPNAMPT
SCHEMBL30074122 0.80 EP300 (0.55) RBP4C5AR1EP300CREBBP
SCHEMBL5952658 0.78 HDAC1 (0.41) NAMPTHDAC1
SCHEMBL25430237 0.78 ADORA1 (0.43) RBP4NR1H2C5AR1EP300CREBBP
SCHEMBL4792110 0.76 ADORA1 (0.46) RBP4NR1H2EP300CREBBPESR2
SCHEMBL14520683 0.76 ESR2 (0.41) RBP4NR1H2EP300CREBBPESR2
SCHEMBL4795587 0.76 NPC1 (0.48) RBP4

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
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed