SCHEMBL5190102

SCHEMBL5190102

CC(C)c1cc(-n2ccnc2)nc(NCC(=O)NC(C)c2ccc3c(c2)OCO3)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OGA O60502 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 1/20 0.43
NOS2 P35228 7/20 0.41
NOS1 P29475 2/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39

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
SCHEMBL5189982 0.91 NOS2 (0.47) OGAKMT2AMEN1HPGDPOLB
SCHEMBL5190648 0.85 POLB (0.47) OGAKMT2AMEN1HPGDPOLB
SCHEMBL5190108 0.84 NOS2 (0.55) NOS2NOS1ALDH1A1
SCHEMBL5189995 0.80 OGA (0.56) OGAHPGDPOLBNOS2
SCHEMBL5193596 0.79 NOS2 (0.55) OGAHPGDPOLBNOS2NOS1
SCHEMBL5192618 0.75 OGA (0.49) OGAHPGDPOLBNOS2CYP1A2
SCHEMBL5190558 0.74 NOS2 (0.65) NOS2
SCHEMBL5194974 0.74 NOS2 (0.49) HPGDNOS2NOS1ALDH1A1CYP1A2
SCHEMBL5190586 0.73 NOS2 (0.54) HPGDPOLBNOS2NOS1
SCHEMBL27436105 0.73 OGA (0.47) OGAKMT2AHPGDPOLBNOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1754703-A2 N-Heterocyclic derivatives as nos inhibitors Berlex, Inc. (US) 2007-02-21 EP claimed
EP-1754703-A2 N-Heterocyclic derivatives as nos inhibitors Berlex, Inc. (US) 2007-02-21 EP disclosed
EP-0968206-B1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LAB (US) 2006-11-15 EP disclosed