SCHEMBL12811897

SCHEMBL12811897

O=C(NCc1nccs1)C1CCN(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.52
▸ MAPT P10636 4/20 0.51
▸ TP53 P04637 2/20 0.48
▸ POLB P06746 1/20 0.46
▸ ACKR3 P25106 1/20 0.46
▸ ALDH1A1 P00352 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
SCHEMBL12811851 0.89 LMNA (0.56) LMNAMAPTTP53POLBALDH1A1
SCHEMBL1440413 0.79 TP53 (0.60) LMNAMAPTTP53POLB
SCHEMBL1440237 0.78 TP53 (0.64) LMNAMAPTTP53POLB
SCHEMBL1440520 0.78 GAA (0.55) LMNAMAPTTP53POLB
SCHEMBL1440331 0.77 TP53 (0.70) LMNAMAPTTP53POLBALDH1A1
SCHEMBL12811853 0.77 PTGES (0.49) LMNAMAPTACKR3ALDH1A1
SCHEMBL1441243 0.77 MAPT (0.52) LMNAMAPTTP53
SCHEMBL1440561 0.76 TP53 (0.50) LMNAMAPTTP53POLB
SCHEMBL1440452 0.76 TP53 (0.61) LMNAMAPTTP53POLB
SCHEMBL1440421 0.75 PTGES (0.52) LMNAMAPTTP53

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 1 patent. 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
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