SCHEMBL6171334

SCHEMBL6171334

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.47
GRIK1 P39086 1/20 0.40
ENPP2 Q13822 1/20 0.39
GPR17 Q13304 1/20 0.39
MDM4 O15151 1/20 0.38
MDM2 Q00987 1/20 0.38
PTGS2 P35354 2/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.38
ABCC4 O15439 1/20 0.38
C5 P01031 1/20 0.38
MAPT P10636 1/20 0.38
PTGS1 P23219 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE4D Q08499 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) ALOX15ENPP2GPR17PTGS2MEN1
SCHEMBL6171695 0.89 PTGS2 (0.46) ALOX15ENPP2MDM4MDM2PTGS2
SCHEMBL6173696 0.88 GPR17 (0.41) GPR17PTGS2MEN1ABCC4C5
SCHEMBL6168377 0.88 MEN1 (0.46) GPR17PTGS2MEN1ABCC4C5
SCHEMBL6170113 0.86 ENPP2 (0.43) ALOX15ENPP2PTGS2MEN1ABCC4
SCHEMBL6173340 0.86 PTGS2 (0.40) ALOX15ENPP2GPR17MDM4MDM2
SCHEMBL7205778 0.86 ALOX15 (0.47) ALOX15MDM2
SCHEMBL6169060 0.84 GPR17 (0.44) GPR17MDM2PTGS2MEN1ABCC4
SCHEMBL6171989 0.84 SRD5A2 (0.43) MAPTKMT2A
SCHEMBL6169317 0.82 ALOX15 (0.44) ALOX15GPR17MDM2PTGS2MEN1

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