SCHEMBL30833344

SCHEMBL30833344

NC(=O)c1ccc(N2CCC(CN3CCNCC3)CC2)nn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNB1 Q02641 1/20 0.37
AR P10275 2/20 0.36
SCD O00767 3/20 0.36
CHRM4 P08173 1/20 0.36
DCTPP1 Q9H773 1/20 0.36
KDM1A O60341 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL30833353 0.93 AR (0.38) LMNAHTTARSCD
SCHEMBL27169500 0.86 MEN1 (0.43) ARSCDDCTPP1
SCHEMBL30349708 0.83 LMNA (0.43) LMNAHTTSCDDCTPP1KDM1A
SCHEMBL29942240 0.83 BPTF (0.54) BPTFHTT
SCHEMBL22565347 0.82 PRKAA2 (0.47) ARCHRM4
SCHEMBL30460341 0.81 BPTF (0.41) BPTFLMNAHTT
Trifluoroacetic Acid SCHEMBL30054159 0.80 SCD (0.42) ARSCDDCTPP1
SCHEMBL31753620 0.77 DCTPP1 (0.43) LMNAHTTSCDDCTPP1KDM1A
SCHEMBL24267252 0.76 SCD (0.33) ARSCD
SCHEMBL31589862 0.74 PARP1 (0.37) ARDCTPP1

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-117580839-A Anti-cancer nuclear hormone receptor targeting compounds 诺维逊生物股份有限公司 2024-02-20 CN disclosed