SCHEMBL10504252

SCHEMBL10504252

Cc1cc(N2CCOCC2)c([N+](=O)[O-])c(C)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MAPT P10636 6/20 0.50
KMT2A Q03164 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50
NPSR1 Q6W5P4 4/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 1/20 0.49
NCF1 P14598 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL11240309 0.83 MAPT (0.41) ALDH1A1MAPTKMT2ACYP1A2CYP2C9
Hydrochloric Acid SCHEMBL10684846 0.82 MAPT (0.40) ALDH1A1MAPTKMT2ACYP1A2CYP2C9
Hydrochloric Acid SCHEMBL11363014 0.81 KMT2A (0.35) ALDH1A1MAPTKMT2ACYP1A2CYP2C9
SCHEMBL3204082 0.77 ALDH1A1 (0.76) ALDH1A1MAPTKMT2ACYP1A2CYP2C9
SCHEMBL971969 0.77 ALDH1A1 (0.59) ALDH1A1MAPTKMT2ACYP1A2CYP2C9
SCHEMBL5008170 0.75 ALDH1A1 (0.51) ALDH1A1MAPTKMT2ACYP1A2CYP2C9
SCHEMBL26834482 0.74 MAPT (0.51) ALDH1A1MAPTKMT2ACYP1A2CYP2C9
SCHEMBL31178192 0.74 MAPT (0.49) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL10552142 0.73 KDM4E (0.51) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL7968404 0.72 POLB (0.49) ALDH1A1MAPTKMT2ACYP1A2CYP2C9

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-0250436-B1 MULTIPLY-SUBSTITUTED PYRIDINE-1-OXIDES, PROCESS FOR THEIR PRODUCTION, THE MEDICINES CONTAINING THESE AND THE USE THEREOF HOECHST AKTIENGESELLSCHAFT (DE) 1989-11-15 EP disclosed
US-4859663-A CAUSED BY VASCULAR OR DEGENERATIVE FACTORS HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-22 US disclosed
EP-0250436-A1 MULTIPLY-SUBSTITUTED PYRIDINE-1-OXIDES, PROCESS FOR THEIR PRODUCTION, THE MEDICINES CONTAINING THESE AND THE USE THEREOF. HOECHST AG (DE) 1988-01-07 EP disclosed
WO-1986006067-A1 MULTIPLY-SUBSTITUTED PYRIDINE-1-OXIDES, PROCESS FOR THEIR PRODUCTION, THE MEDICINES CONTAINING THESE AND THE USE THEREOF HOECHST AKTIENGESELLSCHAFT (DE) 1986-10-23 WO disclosed