SCHEMBL5700919

SCHEMBL5700919

COC(=O)C[C@@H](NC(=O)c1cccnn1)c1ccc(N)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.48
TACR3 P29371 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
CTSA P10619 12/20 0.40
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
UBE2N P61088 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
SCHEMBL5700886 0.79 MEN1 (0.48) MEN1KMT2APOLBROCK2ROCK1
SCHEMBL5700880 0.79 MEN1 (0.48) MEN1KMT2APOLBROCK2ROCK1
SCHEMBL5700932 0.78 MEN1 (0.60) TACR3MEN1KMT2APOLBROCK2
SCHEMBL5700925 0.78 MEN1 (0.60) TACR3MEN1KMT2APOLBROCK2
SCHEMBL5700835 0.77 SGPL1 (0.49) TACR3MEN1KMT2A
SCHEMBL5700842 0.77 SGPL1 (0.49) TACR3MEN1KMT2A
SCHEMBL5700869 0.76 KMT2A (0.44) TACR3MEN1KMT2APOLB
SCHEMBL5700864 0.76 KMT2A (0.44) TACR3MEN1KMT2APOLB
SCHEMBL5701021 0.75 MAPT (0.50) MEN1KMT2APOLB
SCHEMBL5701028 0.75 MAPT (0.50) MEN1KMT2APOLB

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