SCHEMBL1440380

SCHEMBL1440380

Cc1cc2nc(N3CCC(C(=O)NC4CCCC4)CC3)[nH]c2cc1C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 3/20 0.58
▸ TSHR P16473 5/20 0.57
▸ TP53 P04637 1/20 0.53
▸ LMNA P02545 5/20 0.52
▸ ALDH1A1 P00352 3/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ EPHX2 P34913 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ GAA P10253 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 0.92 MAPT (0.56) PTGESTSHRTP53LMNAALDH1A1
SCHEMBL1440323 0.92 MAPT (0.56) PTGESTSHRTP53LMNAALDH1A1
SCHEMBL1440054 0.87 PTGES (0.52) PTGESTSHRTP53LMNAHPGD
SCHEMBL1440810 0.86 TP53 (0.48) PTGESTSHRTP53LMNAMAPT
SCHEMBL1441508 0.86 TP53 (0.48) PTGESTSHRTP53LMNAMAPT
SCHEMBL1440421 0.84 PTGES (0.52) PTGESTSHRTP53LMNAMAPT
SCHEMBL1439975 0.83 PTGES (0.48) PTGESTSHRTP53LMNAMAPT
SCHEMBL1441498 0.83 PTGES (0.48) PTGESTSHRTP53LMNAMAPT
SCHEMBL1439951 0.82 MAPT (0.52) TP53LMNAHSD17B10HPGDMAPT
SCHEMBL29767280 0.82 TP53 (0.62) TSHRTP53LMNAMAPTSMN1; SMN2

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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