SCHEMBL5700932

SCHEMBL5700932

COC(=O)CC(NC(=O)c1ccccc1)c1ccc(N)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
POLB P06746 1/20 0.60
ROCK2 O75116 2/20 0.49
ROCK1 Q13464 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TACR3 P29371 1/20 0.48
UTS2R Q9UKP6 3/20 0.47
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PRSS1 P07477 1/20 0.43

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
SCHEMBL5700925 1.00 MEN1 (0.60) MEN1KMT2APOLBROCK2ROCK1
SCHEMBL27781112 0.90 MEN1 (0.63) MEN1KMT2APOLBROCK2ROCK1
SCHEMBL12226572 0.90 MEN1 (0.63) MEN1KMT2APOLBROCK2ROCK1
SCHEMBL14198862 0.90 MEN1 (0.63) MEN1KMT2APOLBROCK2ROCK1
SCHEMBL5700999 0.88 MAPT (0.49) MEN1KMT2APOLBROCK2ROCK1
SCHEMBL5701002 0.88 MAPT (0.49) MEN1KMT2APOLBROCK2ROCK1
SCHEMBL8173530 0.86 MEN1 (0.60) MEN1KMT2APOLBROCK2ROCK1
SCHEMBL5700886 0.85 MEN1 (0.48) MEN1KMT2APOLBROCK2ROCK1
SCHEMBL5700880 0.85 MEN1 (0.48) MEN1KMT2APOLBROCK2ROCK1
SCHEMBL7994713 0.84 MEN1 (0.58) MEN1KMT2APOLBROCK2ROCK1

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-1027328-B1 SUBSTITUTED ANILIDES AVENTIS PHARMA LTD (GB) 2006-08-23 EP disclosed
US-6479519-B1 INHIBITORS OF CELL ADHESION; TREATMENT OF ASTHMA OR INFLAMMATORY BOWEL DISEASE AVENTIS PHARMA LIMITED (GB) 2002-11-12 US disclosed