SCHEMBL7100074

SCHEMBL7100074

CCOC(=O)C(C)c1ccc(-n2c(CC)nc3cc([N+](=O)[O-])c(Cl)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
POLB P06746 1/20 0.39
ALDH1A1 P00352 6/20 0.39
MAPT P10636 6/20 0.39
LMNA P02545 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
THRB P10828 2/20 0.37
PGK1 P00558 1/20 0.36
GAA P10253 1/20 0.36
NPBWR1 P48145 1/20 0.36
RAB9A P51151 1/20 0.36
MCHR1 Q99705 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.35
VCAM1 P19320 1/20 0.35

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
SCHEMBL7099008 0.88 SMN1; SMN2 (0.40) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7098251 0.84 SMN1; SMN2 (0.39) POLBMAPTLMNAMEN1KMT2A
SCHEMBL27599829 0.83 KMT2A (0.49) NPC1POLBALDH1A1MAPTLMNA
SCHEMBL7102170 0.82 SMN1; SMN2 (0.36) SMN1; SMN2
SCHEMBL7100343 0.82 HTT (0.36) POLBALDH1A1MAPTLMNAPGK1
SCHEMBL7097040 0.82 ESR1 (0.40) POLBALDH1A1LMNAMEN1KMT2A
SCHEMBL27600113 0.81 PSEN1 (0.47) SMN1; SMN2
SCHEMBL6426223 0.81 PSEN1 (0.45) ALDH1A1MAPTLMNANPSR1MEN1
SCHEMBL1625560 0.80 NPC1 (0.39) NPC1POLBALDH1A1MAPTLMNA
SCHEMBL6531340 0.80 ALDH1A1 (0.36) NPC1ALDH1A1MAPTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1477960-A EPA receptor inhibitors to treat rheumatoid arthritis 2004-02-25 CN disclosed
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