SCHEMBL6427804

SCHEMBL6427804

O=[N+]([O-])c1cc2c(cc1Nc1c[c]ccc1)OCCO2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.44
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
LMNA P02545 3/20 0.41
BAZ1A Q9NRL2 1/20 0.41
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
MAPK1 P28482 6/20 0.38
TDP1 Q9NUW8 4/20 0.38
CASP7 P55210 1/20 0.38
HCAR3 P49019 1/20 0.38
WNK1 Q9H4A3 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL7100350 0.93 MAPT (0.43) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7096883 0.78 MAPT (0.37) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7016840 0.75 L3MBTL1 (0.48) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL7018311 0.72 ALDH3A1 (0.58) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL1624830 0.72 KMT2A (0.43) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6389408 0.71 MERTK (0.43) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL30240734 0.70 MAPT (0.54) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7099283 0.69 MAPT (0.37) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1625765 0.69 MAPT (0.74) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14141980 0.69 ALDH1A1 (0.59) MAPTALDH1A1MEN1KMT2ANPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499305-A2 USE OF EP4 RECEPTOR LIGANDS IN THE TREATMENT OF IL-6 INVOLVED DISEASES Pfizer Japan Inc. (JP) 2005-01-26 EP disclosed
WO-2003086371-A2 USE OF EP4 RECEPTOR LIGANDS IN THE TREATMENT OF IL-6 INVOLVED DISEASES PFIZER JAPAN INC. (JP) 2003-10-23 WO 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
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