SCHEMBL6859504

SCHEMBL6859504

CN1C(=O)C2=C(c3ccc(Cl)cc3)NC(=O)C2=C1c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.41
GSK3B P49841 9/20 0.39
RECQL P46063 1/20 0.36
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
GSK3A P49840 1/20 0.34
NOTUM Q6P988 1/20 0.33
MAPT P10636 1/20 0.33
TDP2 O95551 1/20 0.32

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
SCHEMBL8759244 0.94 GSK3B (0.43) PTGS2GSK3BLMNAGAAMAPT
SCHEMBL13464784 0.88 PTGS2 (0.45) PTGS2GSK3BALDH1A1KDM4EMEN1
SCHEMBL6693898 0.86 PTGS2 (0.45) PTGS2GSK3B
SCHEMBL18138113 0.84 APP (0.35) PTGS2GAAALDH1A1MEN1KMT2A
SCHEMBL13883926 0.84 PTGS2 (0.44) PTGS2GSK3B
SCHEMBL7068310 0.81 PTGS2 (0.51) PTGS2GSK3BLMNAGAAALDH1A1
SCHEMBL6857980 0.81 PKM (0.36) PTGS2GSK3BLMNAGAAALDH1A1
SCHEMBL91966 0.79 PTGS2 (0.50) PTGS2GSK3BRECQLGAAALDH1A1
SCHEMBL22591650 0.77 PTGS2 (0.34) PTGS2ALDH1A1MEN1HPGDKMT2A
SCHEMBL13907349 0.76 PTGS2 (0.32) PTGS2GSK3B

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
US-6790884-B2 NONDEFORMING; FOR CRYSTALLINE PLASTICS CIBA SPECIALTY CHEMICALS CORPORATION 2004-09-14 US disclosed