SCHEMBL7872397

SCHEMBL7872397

CCOc1c([N+](=O)[O-])cc(Br)c(Cl)c1CNC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.35
MAPT P10636 4/20 0.34
BCHE P06276 1/20 0.34
CNR2 P34972 1/20 0.34
THRB P10828 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PSMD14 O00487 1/20 0.33
HPGD P15428 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP1A2 P05177 2/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL7880092 0.84 EPAS1 (0.40) EPAS1MAPTPOLBMEN1KMT2A
SCHEMBL7880088 0.79 SMN1; SMN2 (0.38) MAPTBCHECNR2POLBMEN1
SCHEMBL7740445 0.74 MEN1 (0.39) EPAS1MAPTBCHECNR2MEN1
SCHEMBL19717777 0.71 POLB (0.49) MAPTPOLBHPGDSMN1; SMN2CYP3A4
SCHEMBL27782491 0.69 IDO1 (0.50) MAPTMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL3101339 0.69 TSHR (0.51) MAPTTHRBMEN1KMT2AHPGD
SCHEMBL7878669 0.68 POLB (0.41) POLBHPGDSMN1; SMN2LMNAKDM4A
SCHEMBL30868193 0.68 PDGFRB (0.46) MAPTBCHECNR2MEN1KMT2A
SCHEMBL7740423 0.67 ALDH1A1 (0.37) MAPTMEN1KMT2ALMNAHTT
SCHEMBL2858710 0.66 ALOX5 (0.47) MAPTPOLBMEN1KMT2ASMN1; SMN2

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
US-6331553-B1 INHIBITORS OF NITRIC OXIDE SYNTHASE; TREATING CEREBROVASCULAR DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-12-18 US disclosed
EP-0949242-A1 AROMATIC AMINE DERIVATIVES HAVING NOS INHIBITORY EFFECT Chugai Seiyaku Kabushiki Kaisha (JP) 1999-10-13 EP disclosed