SCHEMBL1431844

SCHEMBL1431844

CC(C)[C@@H](N)C(=O)NCC(C(=O)NCc1ccc(N)nc1)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 3/20 0.45
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
HDAC1 Q13547 3/20 0.38
NAMPT P43490 2/20 0.38
METAP2 P50579 2/20 0.37
METAP1 P53582 2/20 0.37
BACE1 P56817 1/20 0.37
ROCK2 O75116 1/20 0.36
TARS1 P26639 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
SCHEMBL1905450 0.90 MASP2 (0.43) MASP2CARM1PRMT6HDAC1NAMPT
SCHEMBL1901038 0.88 MASP2 (0.44) MASP2CARM1PRMT6HDAC1NAMPT
SCHEMBL1901851 0.86 MASP2 (0.41) MASP2CARM1PRMT6HDAC1NAMPT
SCHEMBL1904477 0.85 MASP2 (0.42) MASP2CARM1PRMT6HDAC1NAMPT
SCHEMBL1901410 0.84 MASP2 (0.41) MASP2HDAC1NAMPTMETAP2METAP1
SCHEMBL1432468 0.83 CYP3A4 (0.42) MASP2CARM1PRMT6HDAC1NAMPT
SCHEMBL4303211 0.80 NAMPT (0.46) MASP2CARM1PRMT6HDAC1NAMPT
SCHEMBL3154370 0.78 MASP2 (0.47) MASP2CARM1PRMT6
SCHEMBL3154337 0.78 MASP2 (0.47) MASP2CARM1PRMT6
SCHEMBL1907939 0.76 METAP2 (0.37) CARM1PRMT6HDAC1METAP2METAP1

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-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 EP disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 WO disclosed