SCHEMBL1440520

SCHEMBL1440520

O=C(NCC1CCCCC1)C1CCN(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.55
▸ TP53 P04637 2/20 0.52
▸ LMNA P02545 4/20 0.51
▸ MAPT P10636 3/20 0.50
▸ EPHX2 P34913 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ PRSS12 P56730 1/20 0.45
▸ EPHX1 P07099 1/20 0.44
▸ PTGES O14684 1/20 0.44

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
SCHEMBL1440561 0.90 TP53 (0.50) GAATP53LMNAMAPTPOLB
SCHEMBL1440413 0.83 TP53 (0.60) TP53LMNAMAPTPOLB
SCHEMBL1440054 0.83 PTGES (0.52) TP53LMNAMAPTPTGES
SCHEMBL1440237 0.82 TP53 (0.64) TP53LMNAMAPTPOLB
SCHEMBL1440421 0.81 PTGES (0.52) TP53LMNAMAPTPTGES
SCHEMBL1440331 0.81 TP53 (0.70) TP53LMNAMAPTEPHX2POLB
SCHEMBL1441243 0.81 MAPT (0.52) TP53LMNAMAPTPTGES
SCHEMBL1440452 0.79 TP53 (0.61) TP53LMNAMAPTPOLB
SCHEMBL1439972 0.79 SLC6A9 (0.51) TP53LMNAMAPT
SCHEMBL12811897 0.78 LMNA (0.52) 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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