SCHEMBL1441508

SCHEMBL1441508

Cc1cc2nc(N3CCC(C(=O)N[C@@H]4CCOC4)CC3)[nH]c2cc1C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.48
▸ LMNA P02545 4/20 0.48
▸ SMO Q99835 1/20 0.47
▸ MAPT P10636 4/20 0.46
▸ PTGES O14684 2/20 0.44
▸ POLB P06746 1/20 0.43
▸ TSHR P16473 1/20 0.42

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
SCHEMBL1440810 1.00 TP53 (0.48) TP53LMNASMOMAPTPTGES
SCHEMBL1440369 0.92 MAPT (0.52) TP53LMNASMOMAPTPTGES
SCHEMBL1440309 0.92 MAPT (0.52) TP53LMNASMOMAPTPTGES
SCHEMBL1440367 0.92 MAPT (0.52) TP53LMNASMOMAPTPTGES
SCHEMBL1440314 0.92 MAPT (0.52) TP53LMNASMOMAPTPTGES
SCHEMBL1440573 0.88 PTGES (0.54) TP53LMNASMOMAPTPTGES
SCHEMBL1440570 0.88 PTGES (0.54) TP53LMNASMOMAPTPTGES
SCHEMBL1440380 0.86 PTGES (0.58) TP53LMNAMAPTPTGESTSHR
SCHEMBL29767208 0.84 TP53 (0.57) TP53LMNAMAPTPTGESPOLB
SCHEMBL1440737 0.79 MAPT (0.56) TP53LMNAMAPTPTGESTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012117062-A1 PIPERIDINYL BENZOIMIDAZOLE DERIVATIVES AS MPGES-1 INIHIBITORS NOVASAID AB (SE) 2012-09-07 — — WO disclosed
EP-2495244-A1 Piperidinyl benzoimidazole derivatives as mPGEs-1 inhibitors NovaSaid AB (SE) 2012-09-05 — — EP disclosed
EP-2495244-A1 Piperidinyl benzoimidazole derivatives as mPGEs-1 inhibitors NovaSaid AB (SE) 2012-09-05 — — EP disclosed
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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