SCHEMBL4023710

SCHEMBL4023710

O=CCn1ncc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.67
MAPT P10636 5/20 0.40
NOS1 P29475 2/20 0.40
POLB P06746 1/20 0.40
MAOB P27338 1/20 0.40
KDR P35968 1/20 0.39
SLC6A2 P23975 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP19A1 P11511 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL5445380 0.87 GLS (0.65) GLSMAPTNOS1POLBMAOB
SCHEMBL10982770 0.82 GLS (0.70) GLSMAPTNOS1POLBMAOB
SCHEMBL5347812 0.82 GLS (0.70) GLSMAPTNOS1POLBMAOB
SCHEMBL14928249 0.80 GLS (0.75) GLSMAPTNOS1POLBMAOB
SCHEMBL2933655 0.80 GLS (0.75) GLSMAPTNOS1POLBMAOB
SCHEMBL11002083 0.80 GLS (0.67) GLSMAPTNOS1POLBMAOB
SCHEMBL17060346 0.79 GLS (0.65) GLSMAPTNOS1POLBMAOB
SCHEMBL14910007 0.79 GLS (0.65) GLSMAPTNOS1POLBMAOB
SCHEMBL19145194 0.79 GLS (0.65) GLSPOLBSLC6A2CYP1A2NPC1
SCHEMBL31304655 0.79 GLS (0.65) GLSMAPTNOS1POLBMAOB

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
EP-2029579-A2 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2007124254-A2 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-01 WO disclosed