SCHEMBL4556654

SCHEMBL4556654

NC(=O)[C@@H](C(=O)NCc1ccc([AsH2])nc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 2/20 0.39
F7 P08709 1/20 0.37
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
EPHX2 P34913 1/20 0.36
S1PR3 Q99500 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 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
SCHEMBL4308746 0.87 NAMPT (0.41) MEN1KMT2ATSHRF7EPHX2
Hydrochloric Acid SCHEMBL4310570 0.86 NAMPT (0.40) MEN1KMT2ATSHRF7EPHX2
SCHEMBL4556460 0.84 VNN1 (0.38) MEN1KMT2AAURKARPS6KB1
SCHEMBL4564571 0.81 JAK3 (0.41) MEN1KMT2AF7RAB9AS1PR3
SCHEMBL4310295 0.74 CYP2C9 (0.46) MEN1KMT2ARAB9ASMN1; SMN2CYP1A2
SCHEMBL4309422 0.73 NAMPT (0.43) EPHX2HDAC1
SCHEMBL4305726 0.71 NAMPT (0.45) MEN1KMT2AHDAC1
SCHEMBL4311618 0.70 EPHX2 (0.46) MEN1KMT2ACYP2C19EPHX2HDAC1
Hydrochloric Acid SCHEMBL4303528 0.70 NAMPT (0.44) MEN1KMT2AHDAC1
SCHEMBL4309387 0.70 NAMPT (0.44) HDAC1

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