SCHEMBL28280885

SCHEMBL28280885

N#Cc1ccc(-c2cc(CN)cnc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 17/20 0.61
NSD2 O96028 2/20 0.46
KDM1A O60341 1/20 0.46

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
SCHEMBL28280900 1.00 MALT1 (0.61) MALT1NSD2KDM1A
SCHEMBL19835835 0.89 MALT1 (0.55) MALT1
SCHEMBL28280903 0.86 MALT1 (0.53) MALT1
SCHEMBL28279863 0.86 MALT1 (0.53) MALT1
SCHEMBL28280884 0.82 MALT1 (0.54) MALT1
SCHEMBL28279868 0.82 MALT1 (0.59) MALT1
SCHEMBL28279883 0.82 MALT1 (0.59) MALT1
SCHEMBL28280997 0.82 MALT1 (0.54) MALT1
SCHEMBL28280967 0.78 MALT1 (0.55) MALT1
SCHEMBL28280886 0.78 MALT1 (0.55) MALT1

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
CN-109476599-A Guanidine derivatives and its medical usage 东丽株式会社 2019-03-15 CN disclosed