SCHEMBL5701002

SCHEMBL5701002

COC(=O)CC(NC(=O)c1ccc(C(=O)OC)cc1)c1ccc(N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPK1 P28482 3/20 0.45
GAA P10253 1/20 0.45
CYP3A4 P08684 5/20 0.44
CYP2C9 P11712 4/20 0.44
CYP2C19 P33261 4/20 0.44
CYP2D6 P10635 1/20 0.44
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
CYP1A2 P05177 5/20 0.41
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
LMNA P02545 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL5700999 1.00 MAPT (0.49) MAPTMEN1POLBKMT2ANPC1
SCHEMBL5700925 0.88 MEN1 (0.60) MAPTMEN1POLBKMT2ANPC1
SCHEMBL5700932 0.88 MEN1 (0.60) MAPTMEN1POLBKMT2ANPC1
SCHEMBL7876199 0.83 HPGD (0.52) MAPTPOLBKMT2AMAPK1ROCK2
SCHEMBL5700847 0.83 ROCK2 (0.54) MAPTMEN1KMT2AROCK2ROCK1
SCHEMBL5700841 0.83 ROCK2 (0.54) MAPTMEN1KMT2AROCK2ROCK1
SCHEMBL5700869 0.80 KMT2A (0.44) MAPTMEN1POLBKMT2ARAB9A
SCHEMBL5700864 0.80 KMT2A (0.44) MAPTMEN1POLBKMT2ARAB9A
SCHEMBL5700880 0.79 MEN1 (0.48) MEN1POLBKMT2ANPC1RAB9A
SCHEMBL5700886 0.79 MEN1 (0.48) MEN1POLBKMT2ANPC1RAB9A

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