SCHEMBL8054495

SCHEMBL8054495

CCNc1nc(NCC)nc(N2CCOCC2)n1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.78
MEN1 O00255 2/20 0.78
KMT2A Q03164 2/20 0.78
KDM4E B2RXH2 1/20 0.71
TSHR P16473 2/20 0.60
TP53 P04637 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
GAA P10253 2/20 0.55
MAPT P10636 2/20 0.52
RAD52 P43351 1/20 0.52
MAPK1 P28482 1/20 0.51

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
SCHEMBL9066172 0.90 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL7531287 0.89 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL11145527 0.87 LMNA (0.65) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL15613261 0.84 LMNA (0.78) ALDH1A1MEN1KMT2AKDM4ETP53
SCHEMBL8054058 0.83 TSHR (0.68) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL9913696 0.83 MEN1 (0.76) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL16872897 0.83 GBA1 (0.75) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL8885835 0.81 TSHR (0.69) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL8611070 0.81 MEN1 (0.79) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL8057246 0.81 TSHR (0.64) ALDH1A1MEN1KMT2AKDM4ETSHR

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-6124381-A CURING ACCELERATOR IS A 2-((MONO- OR DI-ALKYL)AMINO, MORPHOLINO, PIPERIDINO, METHYL OR PHENYL)-4,6-SUBSTITUTED DIAMINO-1,3,5-TRIAZINE OF GIVEN FORMULA; POT LIFE, STORAGE STABILITY, AND WORKABILITY NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-09-26 US disclosed
EP-0834523-A1 EPOXY/ACID ANHYDRIDE COMPOSITION NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-04-08 EP disclosed