SCHEMBL10464337

SCHEMBL10464337

CC(C)Nc1cc(Cl)nc(S(C)(=O)=O)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 5/20 0.44
AURKA O14965 2/20 0.38
AURKB Q96GD4 2/20 0.38
BPTF Q12830 2/20 0.38
PTGS2 P35354 5/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LRRK2 Q5S007 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 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
SCHEMBL10463557 0.81 PTGS2 (0.50) BPTFPTGS2
SCHEMBL10463555 0.81 PTGS2 (0.50) BPTFPTGS2
SCHEMBL2614925 0.81 BPTF (0.55) AURKAAURKBBPTFPTGS2LMNA
SCHEMBL9317008 0.78 SMN1; SMN2 (0.46) GLP1RAURKAAURKBBPTFPTGS2
SCHEMBL63292 0.78 LMNA (0.50) GLP1RAURKAAURKBBPTFLMNA
SCHEMBL1748325 0.74 GAA (0.48) GLP1RTRPM8GAATDP1
SCHEMBL11033911 0.73 PPARA (0.49) AURKAAURKBBPTFPTGS2SMN1; SMN2
SCHEMBL9493382 0.73 GAA (0.52) LMNATRPM8GAATDP1
SCHEMBL12411085 0.73 MEN1 (0.44) AURKAAURKBTRPM8GAATDP1
SCHEMBL12102888 0.72 GSK3B (0.50) AURKAAURKBLRRK2

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-4941910-A 4-halo-2-oxy or sulfonyl-4-amino substituted pyrimidines as herbicides BAYER AKTIENGESELLSCHAFT (DE) 1990-07-17 US disclosed
EP-0332963-A1 Pyrimidine derivatives BAYER AG (DE) 1989-09-20 EP disclosed