SCHEMBL28685696

SCHEMBL28685696

CC(C)N1CCN(c2cc[c]c(C(F)(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
HDAC4 P56524 2/20 0.39
KHK P50053 1/20 0.37
HSD11B1 P28845 1/20 0.36
HRH3 Q9Y5N1 8/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TLR9 Q9NR96 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
TLR8 Q9NR97 1/20 0.34
ESRRG P62508 1/20 0.34

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
SCHEMBL28701655 0.83 SIRT6 (0.46) MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL28685736 0.82 IGF1R (0.38) MAPTKDM4EALDH1A1SMN1; SMN2TLR9
SCHEMBL1459581 0.81 AR (0.39) MAPTKDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL28701674 0.81 CTSS (0.34) MAPTALDH1A1SMN1; SMN2
SCHEMBL27905196 0.80 KDM4E (0.47) MAPTKDM4EALDH1A1PKMHDAC4
SCHEMBL1899182 0.80 PDK2 (0.39) MAPTKDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL28708992 0.79 CHRNA7 (0.46) MAPTKDM4EALDH1A1KHKHSD11B1
SCHEMBL28689807 0.77 AR (0.38) MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL28698178 0.77 DRD2 (0.49) KDM4EALDH1A1SMN1; SMN2
SCHEMBL27993852 0.77 LMNA (0.42) MAPTKDM4EALDH1A1PKMSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114127065-A Compounds for the treatment of neurodegenerative diseases and cancer 鸿仪有限责任公司 2022-03-01 CN claimed
CN-114127065-A Compounds for the treatment of neurodegenerative diseases and cancer 鸿仪有限责任公司 2022-03-01 CN disclosed