SCHEMBL8601025

SCHEMBL8601025

CCC(N)c1nc(N)cc(Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
NOS3 P29474 3/20 0.32
NOS2 P35228 3/20 0.32
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 1/20 0.32
NOS1 P29475 2/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL4586148 0.76 NOS2 (0.41) KMT2AKDM4ENOS3NOS2ALDH1A1
SCHEMBL31436573 0.73 NOS2 (0.37) KMT2AKDM4ENOS3NOS2ALDH1A1
SCHEMBL26598615 0.72 ADORA2A (0.33) KMT2ANOS3NOS2NOS1LMNA
SCHEMBL30606159 0.72 ADORA2A (0.33) KMT2ANOS3NOS2NOS1LMNA
SCHEMBL4200435 0.71 ALDH1A1 (0.38) ALDH1A1LMNA
SCHEMBL4259753 0.70 HRH3 (0.33)
SCHEMBL9378258 0.65 NOS2 (0.44) KMT2AKDM4ESMN1; SMN2NOS3NOS2
SCHEMBL115697 0.65
SCHEMBL22029272 0.64 NOS2 (0.45) KMT2AKDM4ESMN1; SMN2NOS3NOS2
SCHEMBL1221544 0.64 NOS2 (0.46) KMT2AKDM4ESMN1; SMN2NOS3NOS2

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