SCHEMBL6531340

SCHEMBL6531340

CCc1nc2cc([N+](=O)[O-])c(Cl)cc2n1-c1ccc(CCC(C)C(=O)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
NPC1 O15118 1/20 0.35
PGK1 P00558 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
PPARG P37231 2/20 0.34
DCTPP1 Q9H773 2/20 0.34
GLP1R P43220 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL1625056 0.86 PGK1 (0.40) ALDH1A1AGTR1AGTR2NPC1PGK1
SCHEMBL1623967 0.85 PGK1 (0.40) ALDH1A1AGTR1AGTR2NPC1PGK1
SCHEMBL6531348 0.84 RXRA (0.42) ALDH1A1AGTR1AGTR2NPC1PGK1
SCHEMBL1625560 0.82 NPC1 (0.39) ALDH1A1AGTR1AGTR2NPC1PGK1
SCHEMBL7100074 0.80 NPC1 (0.42) ALDH1A1NPC1PGK1MAPTLMNA
SCHEMBL6051169 0.77 MEN1 (0.37) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL7100556 0.73 MAPT (0.39) ALDH1A1AGTR1AGTR2NPC1PGK1
SCHEMBL27618366 0.72 DCTPP1 (0.40) ALDH1A1NPC1PGK1MAPTLMNA
SCHEMBL1624773 0.72 MEN1 (0.58) AGTR1AGTR2LMNAMEN1KMT2A
SCHEMBL1624249 0.71 P2RX3 (0.36) AGTR1AGTR2PPARGPTGDR2

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-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