SCHEMBL7108951

SCHEMBL7108951

COc1cccc(-c2ccc([N+](=O)[O-])cc2C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.56
ALDH1A1 P00352 5/20 0.55
MAPT P10636 3/20 0.55
POLB P06746 2/20 0.55
MEN1 O00255 1/20 0.55
CRHBP P24387 1/20 0.55
KMT2A Q03164 1/20 0.55
CRHR2 Q13324 1/20 0.55
NPC1 O15118 2/20 0.54
CASP3 P42574 2/20 0.54
RAB9A P51151 2/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ADORA2A P29274 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.47
PTGES O14684 1/20 0.47
ALOX5 P09917 1/20 0.47

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
SCHEMBL30469306 0.82 MAOB (0.60) MAOBALDH1A1MAPTPOLBMEN1
SCHEMBL20557970 0.82 MAOB (0.60) MAOBALDH1A1MAPTPOLBMEN1
SCHEMBL22336215 0.81 EIF4E (0.54) MAOBALDH1A1MAPTNPC1CASP3
SCHEMBL29936585 0.80 MAOB (0.59) MAOBALDH1A1MAPTMEN1KMT2A
SCHEMBL7353696 0.80 MAOB (0.59) MAOBALDH1A1MAPTMEN1KMT2A
SCHEMBL22336247 0.80 KDM4E (0.53) MAOBALDH1A1MAPTMEN1KMT2A
SCHEMBL7112609 0.80 PTGS2 (0.59) ALDH1A1MAPTPOLBMEN1CRHBP
SCHEMBL947137 0.79 AKR1C3 (0.46) MAOBALDH1A1MAPTPOLBMEN1
SCHEMBL15400718 0.78 ABCG2 (0.54) MAOBMAPTNPC1CASP3RAB9A
SCHEMBL30059246 0.78 LMNA (0.61) MAOBALDH1A1MAPTPOLBMEN1

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-1047665-B1 MATRIX METALLOPROTEASE INHIBITORS PFIZER LTD (GB) 2003-10-22 EP disclosed
US-6350907-B1 PEPTIDE ENZYME INHIBITORS PFIZER INC 2002-02-26 US disclosed
EP-1047665-A1 MATRIX METALLOPROTEASE INHIBITORS Pfizer Limited (GB) 2000-11-02 EP disclosed
WO-1999035124-A1 MATRIX METALLOPROTEASE INHIBITORS PFIZER LIMITED (GB) 1999-07-15 WO disclosed