SCHEMBL9640574

SCHEMBL9640574

CSc1[nH]c(=O)[nH]c(=O)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 5/20 0.41
RXFP1 Q9HBX9 4/20 0.41
KMT2A Q03164 2/20 0.41
PPARG P37231 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
HSD17B10 Q99714 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.38
IDO1 P14902 4/20 0.37
PRNP P04156 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 2/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL6694829 0.72 KDM4E (0.52) GAAKDM4EALDH1A1HSD17B10ATM
SCHEMBL10371514 0.68 TYMP (0.46) GAAKDM4EALDH1A1ATMIDO1
SCHEMBL475086 0.68 KDM4E (0.46) GAAKDM4EALDH1A1ATMIDO1
SCHEMBL7289243 0.68 GAA (0.56) GAAKDM4EALDH1A1RXFP1KMT2A
SCHEMBL23183409 0.65 ALDH1A1 (0.41) GAAKDM4EALDH1A1RXFP1KMT2A
SCHEMBL7291664 0.65 GAA (0.41) GAAKDM4EALDH1A1RXFP1KMT2A
SCHEMBL7291463 0.65 GAA (0.41) GAAKDM4EALDH1A1RXFP1KMT2A
SCHEMBL21489613 0.64 KDM4E (0.59) GAAKDM4EALDH1A1RXFP1KMT2A
SCHEMBL10271853 0.64 GAA (0.70) GAAKDM4EALDH1A1RXFP1KMT2A
SCHEMBL10466353 0.64 GAA (1.00) GAAKDM4EALDH1A1RXFP1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0244360-B1 SUBSTITUTED PYRIMIDINES CIBA-GEIGY AG (CH) 1992-08-19 EP disclosed
EP-0273862-B1 NON-AQUEOUS LIQUID ECTOPARASITICIDAL POUR-ON FORMULATION CIBA-GEIGY AG (CH) 1991-07-10 EP disclosed
US-4783468-A Insecticidal 5-pyrimidine carbonitriles CIBA-GEIGY CORPORATION (US) 1988-11-08 US disclosed
EP-0273862-A2 Non-aqueous liquid ectoparasiticidal pour-on formulation CIBA-GEIGY AG (CH) 1988-07-06 EP disclosed
EP-0244360-A2 Substituted pyrimidines CIBA-GEIGY AG (CH) 1987-11-04 EP disclosed