SCHEMBL6171801

SCHEMBL6171801

O=C(c1ccc(Cl)c(Cl)c1)c1cc2ccc(Cl)cc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 8/20 0.55
MEN1 O00255 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
KMT2A Q03164 2/20 0.54
PDGFRB P09619 1/20 0.53
FLT3 P36888 1/20 0.53
HRH4 Q9H3N8 1/20 0.48
GPR183 P32249 1/20 0.47
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
DAO P14920 1/20 0.45
SRD5A2 P31213 1/20 0.45

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
SCHEMBL6170035 0.88 MEN1 (0.63) ALOX15MEN1NPC1RAB9AKMT2A
SCHEMBL6172428 0.84 MEN1 (0.62) ALOX15MEN1NPC1RAB9AKMT2A
SCHEMBL6171786 0.82 MEN1 (0.57) ALOX15MEN1NPC1RAB9AKMT2A
SCHEMBL6169053 0.82 GPR183 (0.58) ALOX15MEN1NPC1RAB9AKMT2A
SCHEMBL6169487 0.82 ALOX15 (0.58) ALOX15MEN1NPC1RAB9AKMT2A
SCHEMBL6170605 0.82 MEN1 (0.78) ALOX15MEN1NPC1RAB9AKMT2A
SCHEMBL6168778 0.80 ALOX15 (0.59) ALOX15MEN1NPC1RAB9AKMT2A
SCHEMBL6169709 0.79 MEN1 (0.57) ALOX15MEN1NPC1RAB9AKMT2A
SCHEMBL6171399 0.79 MEN1 (0.53) ALOX15MEN1NPC1RAB9AKMT2A
SCHEMBL4268371 0.79 MAP2K1 (0.51) ALOX15MEN1NPC1RAB9AKMT2A

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