SCHEMBL28868420

SCHEMBL28868420

CCC(=O)NNC(=O)Cc1ccc(CN)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
ALDH1A1 P00352 5/20 0.47
LMNA P02545 2/20 0.47
TPSAB1 Q15661 3/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ABAT P80404 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL14647889 0.81 MEN1 (0.65) ALDH1A1LMNAMEN1KMT2AHDAC6
SCHEMBL8135278 0.79 KLKB1 (0.52) HTTLMNATPSAB1LOXL2ABAT
SCHEMBL27633225 0.76 AOC2 (0.58) TPSAB1LOXL2ABATHDAC3HDAC6
SCHEMBL1189878 0.76 CA12 (0.59) HTTALDH1A1MEN1KMT2AKDM4E
SCHEMBL13939687 0.76 TPSAB1 (0.75) ALDH1A1TPSAB1LOXL2
SCHEMBL27687066 0.75 TPSAB1 (0.52) HTTALDH1A1TPSAB1LOXL2MEN1
SCHEMBL2584802 0.74 HTT (0.50) HTTALDH1A1TPSAB1LOXL2MEN1
SCHEMBL27966406 0.73 GAA (0.67) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL2584667 0.71 TPSAB1 (0.49) TPSAB1LOXL2MAPT
SCHEMBL11079658 0.71 KDM4E (0.52) TPSAB1LOXL2ABATHDAC3HDAC6

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-109020846-A O- replaces tyrosine Bcl-2 protein inhibitor and preparation method and application 山东大学 2018-12-18 CN disclosed