SCHEMBL29077604

SCHEMBL29077604

CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2cccc(OC3CN(C4CCN(C(=O)OCc5ccccc5)CC4)C3)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 6/20 0.44
TGM2 P21980 6/20 0.44
TGM1 P22735 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TGM3 Q08188 1/20 0.44
PKM P14618 3/20 0.44
PDE4B Q07343 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
RORC P51449 4/20 0.42
TSHR P16473 1/20 0.42
TGM6 O95932 1/20 0.41
CCR5 P51681 1/20 0.40
BRD4 O60885 1/20 0.39

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
SCHEMBL29640991 1.00 F13A1 (0.44) F13A1TGM2TGM1SMN1; SMN2HTT
SCHEMBL24571938 0.93 TGM2 (0.49) F13A1TGM2TGM1SMN1; SMN2HTT
SCHEMBL29640929 0.93 TGM2 (0.49) F13A1TGM2TGM1SMN1; SMN2HTT
SCHEMBL30690902 0.85 F13A1 (0.43) F13A1TGM2TGM1SMN1; SMN2HTT
SCHEMBL24571634 0.84 BRD4 (0.43) SMN1; SMN2HTTALDH1A1PKMTSHR
SCHEMBL27298282 0.83 ALDH1A1 (0.43) KDM4EALDH1A1LMNAPKMCCR5
SCHEMBL29077488 0.82 F13A1 (0.51) F13A1TGM2TGM1SMN1; SMN2HTT
SCHEMBL30690890 0.82 F13A1 (0.51) F13A1TGM2TGM1SMN1; SMN2HTT
SCHEMBL30990611 0.81 PKM (0.52) F13A1TGM2TGM1SMN1; SMN2HTT
SCHEMBL24571712 0.81 TMEM97 (0.45) F13A1TGM2TGM1SMN1; SMN2HTT

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-116783205-A Compounds for degradation of cyclin-dependent kinase 2 via the ubiquitin proteasome pathway 尼坎治疗公司 2023-09-19 CN disclosed