SCHEMBL7100350

SCHEMBL7100350

O=[N+]([O-])c1cc2c(cc1Nc1c[c]ccc1)OCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.43
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
L3MBTL1 Q9Y468 5/20 0.43
POLB P06746 2/20 0.43
MCL1 Q07820 1/20 0.43
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
GAA P10253 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL6427804 0.93 MAPT (0.44) MAPTMEN1KMT2AL3MBTL1RAB9A
SCHEMBL7099283 0.78 MAPT (0.37) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL7016840 0.75 L3MBTL1 (0.48) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL7018311 0.72 ALDH3A1 (0.58) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL1625810 0.72 MAPT (0.47) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL6389408 0.71 MERTK (0.43) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL2923713 0.70 MAPT (0.57) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL7096883 0.69 MAPT (0.37) MAPTMEN1KMT2AL3MBTL1RAB9A
SCHEMBL718255 0.69 MAPT (0.74) MAPTMEN1KMT2AL3MBTL1POLB
SCHEMBL2245461 0.69 KMT2A (0.51) MAPTMEN1KMT2AL3MBTL1POLB

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