SCHEMBL6173063

SCHEMBL6173063

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
P2RY14 Q15391 1/20 0.45
ALOX15 P16050 5/20 0.45
MAPT P10636 1/20 0.45
PDGFRB P09619 1/20 0.44
FLT3 P36888 1/20 0.44
GPR183 P32249 2/20 0.42
PLD2 O14939 1/20 0.41
PLD1 Q13393 1/20 0.41
ESR1 P03372 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL6171399 0.92 MEN1 (0.53) MEN1NPC1RAB9AKMT2AP2RY14
SCHEMBL27904158 0.85 FLT3 (0.53) P2RY14PDGFRBFLT3GPR183
SCHEMBL6170035 0.84 MEN1 (0.63) MEN1NPC1RAB9AKMT2AALOX15
SCHEMBL6171501 0.83 MEN1 (0.53) MEN1NPC1RAB9AKMT2AALOX15
SCHEMBL30067540 0.80 HRH4 (0.45) P2RY14ALOX15GPR183PLD2PLD1
SCHEMBL6169053 0.79 GPR183 (0.58) MEN1NPC1RAB9AKMT2AALOX15
SCHEMBL3643672 0.78 HPGD (0.54) MEN1KMT2AP2RY14MAPT
SCHEMBL29619366 0.77 P2RY14 (0.50) P2RY14GPR183PLD2PLD1
SCHEMBL6168456 0.77 MEN1 (0.70) MEN1NPC1RAB9AKMT2AMAPT
SCHEMBL6171786 0.76 MEN1 (0.57) 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