SCHEMBL8599188

SCHEMBL8599188

CCNc1cc(Cl)nc(N)[n+]1[O-]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.32
PGK1 P00558 5/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
CASP3 P42574 1/20 0.31
CDK9 P50750 1/20 0.31
CDK5 Q00535 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
CDK5R1 Q15078 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
GSK3B P49841 1/20 0.30

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
SCHEMBL8602832 0.87 MAPT (0.38) KMT2AKDM4ECYP2D6CYP2C19SMN1; SMN2
SCHEMBL8597239 0.84 TLR8 (0.40) KMT2AKDM4ELMNASMN1; SMN2RAB9A
SCHEMBL9156151 0.83 ESR1 (0.42) SMN1; SMN2
SCHEMBL7126475 0.82 KMT2A (0.38) KMT2A
SCHEMBL7118888 0.82 KMT2A (0.38) KMT2A
SCHEMBL7117925 0.82 KMT2A (0.38) KMT2A
SCHEMBL8598413 0.81
SCHEMBL14269189 0.81 CYP2D6 (0.50) KMT2AKDM4ECYP2D6CYP2C19SMN1; SMN2
SCHEMBL8599872 0.78 NUDT1 (0.36) CYP2C19
SCHEMBL7633778 0.78 PGK1 (0.36) KDM4ELMNAPGK1RAB9ANPC1

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
US-5772990-A Composition for slowing down the loss of hair based on pyrimidine N-oxides triaminosubstituted or their sulfoconjugated L'OREAL (FR) 1998-06-30 US disclosed