SCHEMBL10463555

SCHEMBL10463555

C[C@H](Nc1cc(Cl)nc(S(C)(=O)=O)n1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.50
NUDT1 P36639 1/20 0.47
KCNN3 Q9UGI6 1/20 0.44
BPTF Q12830 1/20 0.44
CSF1R P07333 1/20 0.40
SCN8A Q9UQD0 4/20 0.39
SCN1A P35498 2/20 0.39
SCN5A Q14524 2/20 0.39
IDH1 O75874 1/20 0.39
PLK1 P53350 2/20 0.39
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
EGFR P00533 2/20 0.38
CAMK2D Q13557 1/20 0.38
SCN1B Q07699 3/20 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
SCHEMBL10463557 1.00 PTGS2 (0.50) PTGS2NUDT1KCNN3BPTFCSF1R
SCHEMBL10464337 0.81 GLP1R (0.44) PTGS2BPTF
SCHEMBL7024726 0.80 NUDT1 (0.54) PTGS2NUDT1KCNN3CSF1RIDH1
SCHEMBL10513282 0.78 HTR7 (0.51) PTGS2NUDT1PLK1
SCHEMBL11033911 0.77 PPARA (0.49) PTGS2BPTF
SCHEMBL17560919 0.77 NUDT1 (0.71) NUDT1KCNN3EGFR
SCHEMBL9788711 0.77 NUDT1 (0.54) PTGS2NUDT1KCNN3CSF1RIDH1
SCHEMBL10464914 0.75 MEN1 (0.52) PTGS2NUDT1KCNN3CSF1RIDH1
SCHEMBL10464913 0.75 MEN1 (0.52) PTGS2NUDT1KCNN3CSF1RIDH1
SCHEMBL14549610 0.74 PTGS2 (0.66) PTGS2BPTFCSF1R

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-4941910-A 4-halo-2-oxy or sulfonyl-4-amino substituted pyrimidines as herbicides BAYER AKTIENGESELLSCHAFT (DE) 1990-07-17 US disclosed