SCHEMBL5700951

SCHEMBL5700951

COC(=O)CC(NC(=O)OCc1ccccc1)c1ccc(N)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.49
PLAU P00749 1/20 0.49
PLAT P00750 1/20 0.49
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
ABCB1 P08183 1/20 0.46
ATM Q13315 1/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CASP1 P29466 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46

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
SCHEMBL5700948 1.00 F2 (0.49) F2PLAUPLATMEN1LMNA
SCHEMBL16201457 0.91 ATM (0.54) MEN1LMNAKMT2AATMCYP2C9
SCHEMBL6958944 0.91 ATM (0.54) MEN1LMNAKMT2AATMCYP2C9
SCHEMBL6650427 0.87 PPARG (0.47) ABCB1ATMCYP2C9CYP2C19ALDH1A1
SCHEMBL4635039 0.84 CTSK (0.49) ATMCTSLCTSS
SCHEMBL9830798 0.84 F2 (0.52) F2PLAUPLATATMCASP1
SCHEMBL16970673 0.83 OPRK1 (0.43) F2PLAUPLATABCB1ATM
SCHEMBL3571107 0.83 CA1 (0.51) ATMCYP2C9CYP2C19ALDH1A1CYP1A2
SCHEMBL1825255 0.81 P2RX7 (0.47) ATMCASP1
SCHEMBL6135483 0.81 CASP1 (0.54) MEN1LMNAKMT2AATMCYP2C9

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