SCHEMBL1440323

SCHEMBL1440323

Cc1cc2[nH]c(N3CCC(C(=O)NC4CCCC4)CC3)nc2cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.56
▸ PTGES O14684 11/20 0.54
▸ TSHR P16473 2/20 0.53
▸ LMNA P02545 2/20 0.50
▸ TP53 P04637 2/20 0.49
▸ PTGS2 P35354 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47

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
SCHEMBL1440737 0.96 MAPT (0.56) MAPTPTGESTSHRLMNATP53
SCHEMBL1440380 0.92 PTGES (0.58) MAPTPTGESTSHRLMNATP53
SCHEMBL1440054 0.92 PTGES (0.52) MAPTPTGESTSHRLMNATP53
SCHEMBL1440421 0.89 PTGES (0.52) MAPTPTGESTSHRLMNATP53
SCHEMBL1441498 0.88 PTGES (0.48) MAPTPTGESTSHRLMNATP53
SCHEMBL1440309 0.88 MAPT (0.52) MAPTPTGESLMNATP53
SCHEMBL1440314 0.88 MAPT (0.52) MAPTPTGESLMNATP53
SCHEMBL1441243 0.87 MAPT (0.52) MAPTPTGESLMNATP53PTGS2
SCHEMBL1439975 0.86 PTGES (0.48) MAPTPTGESTSHRLMNATP53
SCHEMBL1440776 0.84 MAPT (0.55) MAPTLMNATP53HPGDHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011023812-A1 MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 (MPGES1) INHIBITORS NOVASAID AB (SE) 2011-03-03 — — WO disclosed
WO-2011023812-A1 MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 (MPGES1) INHIBITORS NOVASAID AB (SE) 2011-03-03 — — WO disclosed
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