SCHEMBL28952807

SCHEMBL28952807

COC(=O)C(C(C)C)N(C)C(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
HTT P42858 1/20 0.53
CYP2C19 P33261 1/20 0.52
ENPP2 Q13822 1/20 0.44
PDE4B Q07343 1/20 0.44
GRIN2B Q13224 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HSD11B1 P28845 1/20 0.41
MAPT P10636 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
XIAP P98170 1/20 0.41
BIRC2 Q13490 1/20 0.41
USP30 Q70CQ3 1/20 0.41

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
SCHEMBL28952809 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL25896331 1.00 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL23298289 0.92 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL23298290 0.92 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL30266844 0.89 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL12073246 0.83 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL5767324 0.82 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL22128332 0.81 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL22128330 0.81 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL23297855 0.80 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2ANPSR1MAPT

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
CN-115916194-A Methods for delaying, preventing and treating acquired resistance to RAS inhibitors 锐新医药公司 2023-04-04 CN disclosed
CN-115873020-A RAS inhibitors 锐新医药公司 2023-03-31 CN disclosed
CN-114901366-A RAS inhibitors 锐新医药公司 2022-08-12 CN disclosed