SCHEMBL1440541

SCHEMBL1440541

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

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.61
▸ LMNA P02545 4/20 0.59
▸ KDM4E B2RXH2 2/20 0.56
▸ MAPT P10636 3/20 0.54
▸ HPGD P15428 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ POLB P06746 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
SCHEMBL1441710 0.96 TP53 (0.61) TP53LMNAKDM4EMAPTHPGD
SCHEMBL1440237 0.93 TP53 (0.64) TP53LMNAKDM4EMAPTHPGD
SCHEMBL1440037 0.92 LMNA (0.63) TP53LMNAKDM4EMAPTHPGD
SCHEMBL1440413 0.87 TP53 (0.60) TP53LMNAKDM4EMAPTHPGD
SCHEMBL1440170 0.81 MAPT (0.55) TP53LMNAKDM4EMAPTHPGD
SCHEMBL1440737 0.81 MAPT (0.56) TP53LMNAMAPTHPGDHSD17B10
SCHEMBL1440354 0.81 MAPT (0.53) TP53LMNAKDM4EMAPT
SCHEMBL1440331 0.80 TP53 (0.70) TP53LMNAKDM4EMAPTHPGD
SCHEMBL12076349 0.79 MAPT (0.52) TP53LMNAKDM4EMAPT
SCHEMBL1440452 0.79 TP53 (0.61) TP53LMNAMAPTPOLB

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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