SCHEMBL28833820

SCHEMBL28833820

CCOC(=O)[C@H]1NC[C@H]1c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
PKM P14618 1/20 0.58
TSHR P16473 1/20 0.51
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
TP53 P04637 1/20 0.43
DHFR P00374 1/20 0.43

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
SCHEMBL28833855 1.00 MAPT (0.58) MAPTPKMTSHRALDH1A1MEN1
SCHEMBL6379443 0.85 MAPT (0.59) MAPTPKMTSHRALDH1A1MEN1
SCHEMBL6379447 0.85 MAPT (0.59) MAPTPKMTSHRALDH1A1MEN1
SCHEMBL6768435 0.78 NPSR1 (0.57) MAPTPKMTSHRALDH1A1MEN1
SCHEMBL3552839 0.78 MAPT (0.76) MAPTPKMTSHRALDH1A1MEN1
SCHEMBL7887174 0.78 MAPT (0.76) MAPTPKMTSHRALDH1A1MEN1
SCHEMBL26818738 0.78 MAPT (0.76) MAPTPKMTSHRALDH1A1MEN1
SCHEMBL6635115 0.77 ALOX15 (0.43) MAPTPKMALDH1A1SMN1; SMN2
SCHEMBL28833830 0.77 ALOX15 (0.43) MAPTPKMALDH1A1SMN1; SMN2
SCHEMBL28833784 0.77 ALOX15 (0.43) MAPTPKMALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114980976-A Covalent RAS inhibitors and uses thereof 锐新医药公司 2022-08-30 CN disclosed
CN-114901366-A RAS inhibitors 锐新医药公司 2022-08-12 CN disclosed