SCHEMBL5700880

SCHEMBL5700880

COC(=O)C[C@@H](NC(=O)c1cccnc1)c1ccc(N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 2/20 0.48
TP53 P04637 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.46
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 3/20 0.45
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 2/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP1A2 P05177 2/20 0.44
HDAC1 Q13547 3/20 0.44
THRB P10828 1/20 0.43
KCNA5 P22460 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GAA P10253 1/20 0.42

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 1.00 MEN1 (0.48) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL5700925 0.85 MEN1 (0.60) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5700932 0.85 MEN1 (0.60) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8174992 0.83 MAPK1 (0.54) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL5700982 0.80 KDM4E (0.47) MEN1KMT2APOLBALDH1A1ROCK2
SCHEMBL5701002 0.79 MAPT (0.49) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5700999 0.79 MAPT (0.49) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5700919 0.79 P2RX7 (0.48) MEN1KMT2APOLBROCK2ROCK1
SCHEMBL5700901 0.77 SLC1A3 (0.47) SMN1; SMN2ALDH1A1CYP3A4CYP2C9KCNA5
SCHEMBL5700908 0.77 SLC1A3 (0.47) SMN1; SMN2ALDH1A1CYP3A4CYP2C9KCNA5

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