SCHEMBL6674693

SCHEMBL6674693

CCNC(=N)Nc1cccc(C(C)N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
AURKB Q96GD4 1/20 0.39
FADS1 O60427 1/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA2 P00918 2/20 0.36

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
Hydrochloric Acid SCHEMBL6681868 0.99 KDM4E (0.40) MEN1KMT2AKDM4EGRIN2DGRIN3B
SCHEMBL5078290 0.80 MEN1 (0.46) MEN1KMT2AKDM4EGRIN2DGRIN3B
SCHEMBL27495551 0.78 FADS1 (0.40) MEN1KMT2AKDM4EGRIN2DGRIN3B
SCHEMBL6679305 0.77 KDM4E (0.39) MEN1KMT2AKDM4EGRIN2DGRIN3B
Hydrochloric Acid SCHEMBL27564541 0.77 FADS1 (0.39) MEN1KMT2AKDM4EGRIN2DGRIN3B
Hydrochloric Acid SCHEMBL6675888 0.76 KDM4E (0.39) MEN1KMT2AKDM4EGRIN2DGRIN3B
SCHEMBL6675005 0.76 KMT2A (0.41) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL6677091 0.76 ENPP2 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4981820 0.75 HDAC4 (0.49) MEN1KMT2AKDM4EGRIN2DGRIN3B
Hydrochloric Acid SCHEMBL6676190 0.75 KMT2A (0.40) MEN1KMT2AGRIN2DGRIN3BGRIN1

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
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP claimed