SCHEMBL9640909

SCHEMBL9640909

CCN(CC)c1nc(N)c(C#N)c(SC)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.48
MEN1 O00255 8/20 0.47
KMT2A Q03164 8/20 0.47
KDM4E B2RXH2 7/20 0.47
MAPT P10636 5/20 0.47
HSD17B10 Q99714 3/20 0.47
HTT P42858 3/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 4/20 0.42
ALDH1A1 P00352 4/20 0.42
GALR3 O60755 1/20 0.42
HIF1A Q16665 1/20 0.42
RXFP1 Q9HBX9 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9640682 0.85 TSHR (0.57) NPSR1MEN1KMT2AKDM4EMAPT
SCHEMBL810841 0.73 NPSR1 (0.49) NPSR1MEN1KMT2AKDM4EMAPT
SCHEMBL9639513 0.73 TSHR (0.44) NPSR1MEN1KMT2AKDM4EMAPT
SCHEMBL8986160 0.71 MEN1 (0.60) NPSR1MEN1KMT2AKDM4EMAPT
SCHEMBL19734642 0.68 MEN1 (0.53) NPSR1MEN1KMT2AKDM4EMAPT
SCHEMBL967156 0.68 ALDH1A1 (0.59) NPSR1MEN1KMT2AKDM4EMAPT
SCHEMBL11175512 0.67 TSHR (0.57) NPSR1MEN1KMT2AKDM4EMAPT
SCHEMBL9641018 0.67 MAPK8 (0.44) NPSR1MEN1KMT2AKDM4EMAPT
SCHEMBL10989504 0.66 PGK1 (0.36) KMT2AKDM4EMAPTHTTALOX15
SCHEMBL6247068 0.65 KDM4E (0.76) NPSR1MEN1KMT2AKDM4EMAPT

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 3 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