SCHEMBL6170035

SCHEMBL6170035

O=C(c1ccc(Cl)cc1)c1cc2ccc(Cl)cc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
KMT2A Q03164 2/20 0.63
ALOX15 P16050 7/20 0.60
FLT3 P36888 3/20 0.58
PDGFRB P09619 1/20 0.58
GPR183 P32249 2/20 0.54
HRH4 Q9H3N8 1/20 0.52
F7 P08709 1/20 0.50
F3 P13726 1/20 0.50
DAO P14920 1/20 0.50

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
SCHEMBL6169487 0.91 ALOX15 (0.58) MEN1NPC1RAB9AKMT2AALOX15
SCHEMBL6169053 0.91 GPR183 (0.58) MEN1NPC1RAB9AKMT2AALOX15
SCHEMBL6171786 0.91 MEN1 (0.57) MEN1NPC1RAB9AKMT2AALOX15
SCHEMBL6170605 0.90 MEN1 (0.78) MEN1NPC1RAB9AKMT2AALOX15
SCHEMBL6171801 0.88 ALOX15 (0.55) MEN1NPC1RAB9AKMT2AALOX15
SCHEMBL6171399 0.87 MEN1 (0.53) MEN1NPC1RAB9AKMT2AALOX15
SCHEMBL6168411 0.87 MEN1 (0.82) MEN1NPC1RAB9AKMT2AFLT3
SCHEMBL6172428 0.86 MEN1 (0.62) MEN1NPC1RAB9AKMT2AALOX15
SCHEMBL6168456 0.85 MEN1 (0.70) MEN1NPC1RAB9AKMT2AFLT3
SCHEMBL6173063 0.84 MEN1 (0.50) MEN1NPC1RAB9AKMT2AALOX15

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-1045833-B1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2005-11-02 EP disclosed
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed
EP-1045833-A1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER INC. (US) 2000-10-25 EP disclosed
WO-1999035130-A1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1999-07-15 WO disclosed