SCHEMBL31207239

SCHEMBL31207239

COc1ccc(CNC2(CCc3ccc(C)nc3Cl)C[C@H](CO)N(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 1/20 0.34
TP53 P04637 3/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
BACE1 P56817 1/20 0.32
KDM1A O60341 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HTT P42858 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL31207250 1.00 LMNA (0.34) LMNASMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL31099096 1.00 LMNA (0.34) LMNASMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL31099097 0.79 LMNA (0.40) LMNASMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL31207273 0.79 LMNA (0.40) LMNASMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL31207277 0.73 TP53 (0.33) LMNASMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL31207253 0.73 EPHX2 (0.40) LMNASMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL31099103 0.73 EPHX2 (0.40) LMNASMN1; SMN2MAPTTP53ALDH1A1
SCHEMBL24853451 0.70 MEN1 (0.42) ALDH1A1KDM4EMEN1KMT2ABACE1
SCHEMBL30318752 0.70 MEN1 (0.42) ALDH1A1KDM4EMEN1KMT2ABACE1
SCHEMBL31099050 0.70 OPRM1 (0.34) LMNAMAPTALDH1A1KDM4EMEN1

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-2024255412-A1 SPIRO HETEROCYCLIC COMPOUND AND USE THEREOF 广州必贝特医药股份有限公司 2024-12-19 WO disclosed