SCHEMBL11270591

SCHEMBL11270591

COc1ccc(-c2nc([N+](=O)[O-])n(C(=O)c3ccccc3)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.50
MAPT P10636 5/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 4/20 0.47
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
SMO Q99835 1/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 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
SCHEMBL11268555 0.85 HTR7 (0.47) MAPTMEN1USP2CYP2C9CYP2C19
SCHEMBL11268838 0.80 GAA (0.43) MAPTMEN1KMT2AKDM4EPTGS2
SCHEMBL11267467 0.71 HTR7 (0.41) MAPTMEN1KMT2AKDM4EPTGS2
SCHEMBL10618024 0.71 ALDH1A1 (0.50) MAPTMEN1KMT2AKDM4EPTGS2
SCHEMBL8515056 0.68 AGTR1 (0.75) CNR2CYP2C9KDM4EPTGS1PTGS2
SCHEMBL2957488 0.67 HTR7 (0.53) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL2951932 0.66 RAB9A (0.52) MAPTMEN1USP2CYP2C9CYP2C19
SCHEMBL6362990 0.65 NPSR1 (0.61) MAPTCYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL2957412 0.64 MAPT (0.48) MAPTMEN1KMT2APTGS2ALDH1A1
SCHEMBL31351858 0.64 NPSR1 (0.48) MAPTMEN1CYP2C9CYP2C19KMT2A

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
EP-0008755-B1 ANTIINFLAMMATORY 4,5-DIARYL-2-NITROIMIDAZOLES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-04-21 EP disclosed
US-4251535-A ANTIARTHRITIC AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-02-17 US disclosed
US-4199592-A Antiinflammatory 4,5-diaryl-2-nitroimidazoles E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-04-22 US disclosed
EP-0008755-A1 Antiinflammatory 4,5-diaryl-2-nitroimidazoles, method for their preparation and pharmaceutical composition containing them E.I. DU PONT DE NEMOURS AND COMPANY (US) 1980-03-19 EP disclosed