SCHEMBL24409183

SCHEMBL24409183

Cc1nc(NN)nc(N(N)N)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.44
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CRHR1 P34998 3/20 0.33
MEN1 O00255 2/20 0.32
AGTR1 P30556 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
SCHEMBL9847094 0.78 GAA (0.50) GAAMAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL1331026 0.76 MAPT (0.37) GAAMAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL8353255 0.72 GAA (0.59) GAAMAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL36741 0.69 MAPT (0.58) GAAMAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL12705713 0.67 CYP1A2 (0.58) GAAMAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL9847127 0.65 GAA (0.53) GAAMAPTSMN1; SMN2KMT2AL3MBTL1
SCHEMBL8908228 0.64 GAA (0.81) GAAMAPTKMT2AKDM4EL3MBTL1
SCHEMBL10039906 0.64 GAA (0.43) GAAMAPTSMN1; SMN2
SCHEMBL11688741 0.64 MAPT (0.46) GAAMAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL16286235 0.63 CYP1A2 (0.38) GAAKMT2AKDM4EL3MBTL1CYP1A2

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
WO-2022096356-A1 METHOD FOR STABILIZING AN ORGANIC MATERIAL USING A STABILIZER MIXTURE BASF SE (DE) 2022-05-12 WO disclosed