SCHEMBL7415740

SCHEMBL7415740

O=C(CC(NC(=O)c1cccnc1)c1ccccc1)NO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
LMNA P02545 2/20 0.51
ECE1 P42892 1/20 0.51
SUCNR1 Q9BXA5 2/20 0.50
DHPS P49366 1/20 0.50
CYP3A4 P08684 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
PTGS2 P35354 1/20 0.48
PLOD2 O00469 1/20 0.48
CYP1A2 P05177 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK13 O15264 1/20 0.47
ROCK2 O75116 1/20 0.47

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
SCHEMBL7417166 0.86 MEN1 (0.64) CYP2C9CYP2C19HDAC1HDAC6MEN1
Nicofetamide SCHEMBL254029 0.82 ECE1 (0.67) EPHX2CYP2C9CYP2C19MEN1KMT2A
Nicofetamide SCHEMBL29500848 0.82 ECE1 (0.67) EPHX2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL7471469 0.80 HDAC1 (0.58) EPHX2CYP2C9CYP2C19HDAC1HDAC6
SCHEMBL7416168 0.80 LMNA (0.61) HDAC1HDAC6MEN1KMT2ALMNA
SCHEMBL8082996 0.78 HDAC1 (0.54) HDAC1HDAC6LMNAECE1ALDH1A1
SCHEMBL7251498 0.78 EPHX2 (0.61) EPHX2CYP2C9CYP2C19HDAC1HDAC6
SCHEMBL3080533 0.77 EPHX2 (0.55) EPHX2CYP2C9CYP2C19HDAC1LMNA
SCHEMBL10822708 0.75 ROCK2 (0.63) EPHX2CYP2C9CYP2C19LMNAECE1
SCHEMBL8751861 0.75 GPR132 (0.62) EPHX2CYP2C9CYP2C19HDAC1HDAC6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218389-B1 FOR THERAPY AND PROPHYLAXIS OF ARTHRITIS, CANCER, CARDIOVASCULAR DISORDERS; SKIN DISORDERS; OCULAR DISORDERS; INFLAMMATION AND GUM DISEASES, MULTIPLE SCLEROSIS, CACHEXIA, PREVENTING LOOSENING OF PROSTHETIC DEVICES THE PROCTER & GAMBLE CO. 2001-04-17 US disclosed
CN-1265647-A Acyclic metalloprotease inhibitors PROCTER & GAMBLE (US) 2000-09-06 CN disclosed
EP-1009737-A2 SULFONYLAMINO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-06-21 EP disclosed
WO-1999006340-A2 SULFONYLAMINO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1999-02-11 WO disclosed