SCHEMBL5700931

SCHEMBL5700931

COCCOCC(=O)NC(CC(=O)OC)c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TACR3 P29371 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 2/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NAMPT P43490 1/20 0.35
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
TNF P01375 1/20 0.34
CNR2 P34972 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL5700926 1.00 POLB (0.43) POLBMEN1KMT2ATACR3TSHR
SCHEMBL7388965 0.86 POLB (0.42) POLBMEN1KMT2ATACR3TSHR
SCHEMBL5701087 0.86 POLB (0.42) POLBMEN1KMT2ATACR3TSHR
SCHEMBL5700864 0.78 KMT2A (0.44) POLBMEN1KMT2ATACR3SMN1; SMN2
SCHEMBL5700869 0.78 KMT2A (0.44) POLBMEN1KMT2ATACR3SMN1; SMN2
SCHEMBL4029008 0.78 TSHR (0.41) POLBMEN1KMT2ATACR3TSHR
SCHEMBL4029006 0.78 TSHR (0.41) POLBMEN1KMT2ATACR3TSHR
SCHEMBL5700998 0.76 TSHR (0.41) POLBMEN1KMT2ATACR3TSHR
SCHEMBL5700994 0.76 TSHR (0.41) POLBMEN1KMT2ATACR3TSHR
SCHEMBL5700932 0.75 MEN1 (0.60) POLBMEN1KMT2ATACR3SMN1; SMN2

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