SCHEMBL6173340

SCHEMBL6173340

O=C(c1cccc(F)c1)c1[nH]c2cc(Cl)ccc2c1C(C(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.40
MEN1 O00255 1/20 0.40
ABCC4 O15439 1/20 0.40
C5 P01031 1/20 0.40
MAPT P10636 1/20 0.40
PTGS1 P23219 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE4D Q08499 1/20 0.40
ALOX15 P16050 1/20 0.40
MDM2 Q00987 3/20 0.39
ENPP2 Q13822 1/20 0.39
GPR17 Q13304 1/20 0.39
MDM4 O15151 1/20 0.38

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
SCHEMBL6171214 0.91 ALOX15 (0.44) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6168377 0.88 MEN1 (0.46) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6170687 0.87 MDM2 (0.43) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6171334 0.86 ALOX15 (0.47) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6170113 0.86 ENPP2 (0.43) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6171989 0.86 SRD5A2 (0.43) MAPTKMT2A
SCHEMBL7202043 0.85 MDM2 (0.48) ALOX15MDM2
SCHEMBL6169060 0.84 GPR17 (0.44) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6171411 0.84 ALOX15 (0.47) MEN1MAPTKMT2AALOX15
SCHEMBL6170210 0.83 MAP2 (0.46) PTGS2MEN1ABCC4C5MAPT

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 1 patent. 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