SCHEMBL13628846

SCHEMBL13628846

COOSc1ccc2c(c1)cc(Cc1cccnc1)n2Cc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 2/20 0.40
CYP11B2 P19099 1/20 0.38
GNRHR P30968 1/20 0.38
IDO1 P14902 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
TP53 P04637 1/20 0.37
GRIN1 Q05586 3/20 0.37
GRIN2B Q13224 3/20 0.37
GABRA5 P31644 4/20 0.36
GABRA1 P14867 3/20 0.36
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL13628847 0.83 CYP11B2 (0.43) NPSR1PKMCYP11B2GNRHR
SCHEMBL13628854 0.80 MAPT (0.36) POLBHPGDALDH1A1NPSR1TP53
SCHEMBL2926951 0.78 PTGS2 (0.48) POLBHPGDALDH1A1NPSR1PKM
SCHEMBL13628859 0.77 PTGS2 (0.45) POLBGNRHRTP53
SCHEMBL13628858 0.76 CCR2 (0.38) NPSR1PKMTP53LMNA
SCHEMBL13628821 0.72 MAPT (0.37) HPGDALDH1A1NPSR1TP53RAB9A
SCHEMBL13628860 0.71 PTGS2 (0.46) GNRHRTP53LMNA
SCHEMBL13628832 0.71 TRPC5 (0.38) POLBHPGDALDH1A1RAB9A
SCHEMBL13628848 0.71 PTGS2 (0.42) GNRHRGRIN1GRIN2BLMNA
SCHEMBL13628853 0.71 PTGS2 (0.37) ALDH1A1NPSR1LMNA

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
US-7612070-B2 Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-11-03 US disclosed