SCHEMBL11235490

SCHEMBL11235490

CC(C(N)=O)c1ccc2c(c1)sc1ccc(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.46
MEN1 O00255 1/20 0.46
ABCC4 O15439 1/20 0.46
C5 P01031 1/20 0.46
MAPT P10636 1/20 0.46
PTGS1 P23219 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE4D Q08499 1/20 0.46
APP P05067 1/20 0.44
KDM4E B2RXH2 1/20 0.39
BCKDK O14874 1/20 0.38
MCL1 Q07820 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL11235648 0.88 PTGS2 (0.60) PTGS2MEN1ABCC4C5MAPT
SCHEMBL11228444 0.82 PSEN1 (0.53) PTGS2MEN1ABCC4C5MAPT
SCHEMBL11243536 0.78 PSEN1 (0.46) PTGS2MEN1ABCC4C5MAPT
SCHEMBL11246813 0.78 PTGS2 (0.46) PTGS2MEN1ABCC4C5MAPT
Methoxymethane SCHEMBL11240049 0.75 PSEN1 (0.44) PTGS2MEN1ABCC4C5MAPT
SCHEMBL11809708 0.73 APP (0.52) PTGS2MAPTPTGS1APP
SCHEMBL11240046 0.73 KDM4E (0.36) PTGS2MEN1ABCC4C5MAPT
SCHEMBL11431601 0.73 AHR (0.46) PTGS2MEN1ABCC4C5MAPT
SCHEMBL11246710 0.73 PSEN1 (0.42) PTGS2MEN1ABCC4C5MAPT
SCHEMBL11232073 0.72 SIRT1 (0.44) MEN1MAPTKMT2AKDM4EBCKDK

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
US-4334078-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIRHEUMATICS HOFFMANN-LA ROCHE INC. (US) 1982-06-08 US disclosed
US-4219657-A USED AS ANTIINFLAMATORY AGENTS, ANALGESICS, ANTIRHEUMATIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-08-26 US disclosed