SCHEMBL8189233

SCHEMBL8189233

CS(=O)(=O)Nc1cc(N2C(=O)c3ccccc3C2=O)c(F)cc1C(N)=S

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 4/20 0.41
BRD4 O60885 1/20 0.40
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
PGAM1 P18669 1/20 0.38
GRM4 Q14833 2/20 0.36
GRM8 O00222 1/20 0.36
GRM5 P41594 1/20 0.36
GRM7 Q14831 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MCL1 Q07820 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PTGS2 P35354 1/20 0.34

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
SCHEMBL8175336 0.77 GRM1 (0.42) GRM1BRD4ALOX5APFEN1PGAM1
SCHEMBL6309814 0.71 DHODH (0.45)
SCHEMBL6310856 0.70 DHODH (0.41)
SCHEMBL6697503 0.70 BRD4 (0.30) BRD4
SCHEMBL6310221 0.68 DHODH (0.38)
SCHEMBL6310317 0.68 DHODH (0.38)
SCHEMBL8182967 0.66 PSIP1 (0.44) GRM1BRD4GRM4GRM8GRM5
SCHEMBL6593157 0.65 TRPV1 (0.33)
SCHEMBL10300135 0.63 CYP3A4 (0.41) GRM1GRM4ESR1ESR2CA1
SCHEMBL28957696 0.63 GRM1 (0.46) GRM1GRM4GRM8GRM5GRM7

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-2000010976-A1 SUBSTITUTED N-ARYL-PHTHALIMIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-02 WO disclosed