SCHEMBL4309556

SCHEMBL4309556

NC(=O)[C@@H](C(=O)NCc1ccc(N)nc1)c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.44
MASP2 O00187 3/20 0.43
HDAC1 Q13547 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR2 P34972 2/20 0.39
FURIN P09958 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37

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
SCHEMBL4309515 0.85 MASP2 (0.48) NAMPTMASP2HDAC1MEN1KMT2A
SCHEMBL4309444 0.83 NAMPT (0.47) NAMPTMASP2HDAC1MEN1KMT2A
SCHEMBL4314574 0.83 MASP2 (0.48) NAMPTMASP2HDAC1MEN1KMT2A
SCHEMBL4303211 0.82 NAMPT (0.46) NAMPTMASP2HDAC1ALDH1A1GABRP
SCHEMBL4303439 0.80 NAMPT (0.53) NAMPTMASP2HDAC1MEN1KMT2A
SCHEMBL4318894 0.80 MEN1 (0.45) NAMPTMASP2HDAC1MEN1KMT2A
SCHEMBL3156487 0.79 MASP2 (0.47) NAMPTMASP2HDAC1
SCHEMBL4304626 0.78 F2 (0.49) MASP2F2
SCHEMBL4309586 0.78 F2 (0.45) NAMPTMEN1KMT2AF2
SCHEMBL4305812 0.78 NAMPT (0.46) NAMPTMASP2HDAC1MEN1KMT2A

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-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 WO disclosed