SCHEMBL9586278

SCHEMBL9586278

c1cnnc(Cn2cnnn2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.36
BRD4 O60885 1/20 0.36
HMOX1 P09601 1/20 0.36
TP53 P04637 2/20 0.35
PDE4B Q07343 2/20 0.34
GRIN2B Q13224 5/20 0.34
GRIN1 Q05586 4/20 0.34
NOTUM Q6P988 1/20 0.32

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
SCHEMBL9586325 0.79 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL9585238 0.70 MEN1 (0.41) ALDH1A1MEN1KMT2AKDM4EMAPK1
SCHEMBL31679362 0.69 CXCR4 (0.44) ALDH1A1KMT2AKDM4EL3MBTL1CYP1A2
SCHEMBL17288868 0.69 CXCR4 (0.44) ALDH1A1KMT2AKDM4EL3MBTL1CYP1A2
SCHEMBL2532477 0.69 CYP19A1 (0.55) ALDH1A1MEN1KMT2AKDM4EMAPK1
SCHEMBL31415785 0.69 CYP19A1 (0.61)
SCHEMBL9978689 0.68 CYP19A1 (0.53) ALDH1A1MEN1KMT2AKDM4EMAPK1
SCHEMBL9584318 0.68 KDM4E (0.49) ALDH1A1MEN1KMT2AKDM4EMAPK1
SCHEMBL17076817 0.68 MAPT (0.49) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL2051043 0.68 CYP11B1 (0.56) CYP1A2

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-5200419-A Treatment of cognitive decline, muscle and CNS disorders WARNER-LAMBERT COMPANY (US) 1993-04-06 US disclosed