SCHEMBL1440037

SCHEMBL1440037

CCCCNC(=O)C1CCN(c2nc3cc(C)c(C)cc3[nH]2)CC1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.63
▸ KDM4E B2RXH2 2/20 0.60
▸ TP53 P04637 3/20 0.59
▸ HPGD P15428 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ MAPT P10636 3/20 0.51
▸ POLB P06746 1/20 0.50

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
SCHEMBL1441710 0.92 TP53 (0.61) LMNAKDM4ETP53HPGDHSD17B10
SCHEMBL1440541 0.92 TP53 (0.61) LMNAKDM4ETP53HPGDHSD17B10
SCHEMBL1440237 0.89 TP53 (0.64) LMNAKDM4ETP53HPGDHSD17B10
SCHEMBL1440413 0.82 TP53 (0.60) LMNAKDM4ETP53HPGDHSD17B10
SCHEMBL1440380 0.80 PTGES (0.58) LMNAKDM4ETP53HPGDHSD17B10
SCHEMBL1439951 0.80 MAPT (0.52) LMNAKDM4ETP53HPGDHSD17B10
SCHEMBL1440223 0.79 MAPT (0.52) LMNAKDM4ETP53HPGDHSD17B10
SCHEMBL12811851 0.79 LMNA (0.56) LMNATP53MAPTPOLB
SCHEMBL1440331 0.76 TP53 (0.70) LMNAKDM4ETP53HPGDHSD17B10
SCHEMBL1440810 0.76 TP53 (0.48) LMNATP53MAPTPOLB

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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