SCHEMBL7020732

SCHEMBL7020732

Cc1cc(Nc2c[c]ccc2)c([N+](=O)[O-])c(C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
L3MBTL1 Q9Y468 5/20 0.49
LMNA P02545 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 5/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 4/20 0.43
MITF O75030 2/20 0.42
JAK2 O60674 1/20 0.42
PAX8 Q06710 1/20 0.42
MAPK1 P28482 3/20 0.39
ABCC1 P33527 2/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
ALDH1A1 P00352 4/20 0.38
ABCB1 P08183 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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
SCHEMBL6386687 0.81 L3MBTL1 (0.46) MAPTL3MBTL1LMNATDP1GAA
SCHEMBL6384780 0.80 CYP1A2 (0.38) MAPTL3MBTL1GAAKMT2APOLB
SCHEMBL7015120 0.80 L3MBTL1 (0.47) MAPTL3MBTL1LMNATDP1KMT2A
SCHEMBL6388545 0.76 MAPT (0.38) MAPTL3MBTL1LMNATDP1GAA
SCHEMBL9726900 0.75 MERTK (0.51) MAPTL3MBTL1LMNATDP1GAA
SCHEMBL6385942 0.74 MAPT (0.39) MAPTL3MBTL1LMNATDP1KMT2A
SCHEMBL6386816 0.74 MAPT (0.39) MAPTL3MBTL1LMNATDP1GAA
SCHEMBL6389733 0.74 GSK3B (0.43) MAPTL3MBTL1LMNATDP1KMT2A
SCHEMBL6384395 0.73 GSK3B (0.40) MAPTL3MBTL1LMNATDP1GAA
SCHEMBL7100649 0.72 MAPT (0.42) MAPTL3MBTL1LMNATDP1GAA

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-1326606-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
EP-1326864-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2003-07-16 EP disclosed
WO-2002032422-A2 EP4 RECEPTOR INHIBITORS TO TREAT RHEUMATOID ARTHRITIS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed
WO-2002032900-A2 ARYL OR HETEROARYL FUSED IMIDAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 2002-04-25 WO disclosed