SCHEMBL25640540

SCHEMBL25640540

CC(C)c1ccccc1[C@@H]1CN(Cc2cccc3c2OCO3)CCN1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.40
FAAH O00519 1/20 0.39
PDE2A O00408 1/20 0.39
RECQL P46063 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
DRD2 P14416 5/20 0.36
HTR2A P28223 4/20 0.36
DRD3 P35462 4/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MCHR1 Q99705 2/20 0.36
EED O75530 2/20 0.36

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
SCHEMBL25640415 0.93 LMNA (0.41) LMNAL3MBTL1POLBDRD2
SCHEMBL25195989 0.93 LMNA (0.41) LMNAL3MBTL1POLBDRD2
SCHEMBL30287308 0.93 LMNA (0.41) LMNAL3MBTL1POLBDRD2
SCHEMBL25265194 0.87 LMNA (0.36) LMNAL3MBTL1POLB
SCHEMBL30287134 0.87 LMNA (0.36) LMNAL3MBTL1POLB
SCHEMBL23924984 0.87 LMNA (0.36) LMNAL3MBTL1POLB
SCHEMBL25478885 0.83 TACR1 (0.38) LMNARECQLALDH1A1KMT2A
SCHEMBL25640410 0.83 TACR1 (0.38) LMNARECQLALDH1A1KMT2A
SCHEMBL25640538 0.82 LMNA (0.51) LMNAALDH1A1NPSR1MCHR1
SCHEMBL25743441 0.82 LMNA (0.51) LMNAALDH1A1NPSR1MCHR1

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
WO-2023104043-A1 ANTI-APOPTOTIC PROTEIN BCL-2 INHIBITOR, PHARMACEUTICAL COMPOSITION AND USES THEREOF 杭州和正医药有限公司 2023-06-15 WO disclosed