SCHEMBL30929302

SCHEMBL30929302

COc1ccc(CN2CCN(C(F)(F)F)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.51
GAA P10253 1/20 0.51
HDAC1 Q13547 1/20 0.49
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
GRM2 Q14416 1/20 0.44
CHRM5 P08912 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL27734214 0.75 HDAC1 (0.53) CMA1GAAHDAC1GSK3AGSK3B
SCHEMBL17360667 0.75 CMA1 (0.59) CMA1GAAGSK3AGSK3BHDAC6
SCHEMBL14047401 0.74 ALDH1A1 (0.57) GRM2CHRM5ALDH1A1LMNA
SCHEMBL15858013 0.74 GAA (0.54) CMA1GAAHDAC1GSK3AGSK3B
SCHEMBL21382559 0.72 GAA (0.49) CMA1GAAHDAC1GSK3AGSK3B
SCHEMBL11432095 0.72 GAA (0.68) CMA1GAAGSK3AGSK3BSIGMAR1
SCHEMBL26114501 0.72 CMA1 (0.56) CMA1GAAHDAC1GSK3AGSK3B
SCHEMBL27721848 0.72 CMA1 (0.51) CMA1GAAGSK3AGSK3BHDAC6
SCHEMBL30503756 0.72 HDAC6 (0.56) CMA1GAAHDAC1GSK3AGSK3B
SCHEMBL15858043 0.71 SIGMAR1 (0.51) CMA1GAASIGMAR1POLBSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4615832-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2025-09-17 EP disclosed
CN-120152968-A Substituted heterocyclic compounds 百时美施贵宝公司 2025-06-13 CN disclosed
WO-2024102683-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-05-16 WO disclosed