SCHEMBL4311618

SCHEMBL4311618

NC(=O)[C@@H](C(=O)NCc1ccc(N)nc1)c1cc(Cl)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
NAMPT P43490 3/20 0.40
MASP2 O00187 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR1 P21554 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
FURIN P09958 1/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38

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
SCHEMBL4313109 0.91 EPHX2 (0.48) EPHX2NAMPTMASP2MEN1KMT2A
SCHEMBL4309444 0.86 NAMPT (0.47) EPHX2NAMPTMASP2MEN1KMT2A
SCHEMBL4310295 0.83 CYP2C9 (0.46) EPHX2NAMPTMASP2MEN1KMT2A
SCHEMBL4308746 0.83 NAMPT (0.41) EPHX2NAMPTMASP2MEN1KMT2A
SCHEMBL4309422 0.82 NAMPT (0.43) EPHX2NAMPTMASP2HDAC1
Hydrochloric Acid SCHEMBL4310570 0.82 NAMPT (0.40) EPHX2NAMPTMASP2MEN1KMT2A
SCHEMBL4305812 0.79 NAMPT (0.46) NAMPTMASP2MEN1KMT2AFURIN
SCHEMBL3154590 0.79 EPHX2 (0.47) EPHX2NAMPTMASP2
SCHEMBL4303211 0.78 NAMPT (0.46) EPHX2NAMPTMASP2GABRPGABRD
SCHEMBL4314574 0.77 MASP2 (0.48) NAMPTMASP2MEN1KMT2AFURIN

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