SCHEMBL28678688

SCHEMBL28678688

COc1ccc(C)cc1N(C)C(C)=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ACHE P22303 1/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
AHR P35869 1/20 0.43
CYP3A4 P08684 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TSPO P30536 1/20 0.41
FSCN1 Q16658 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
SCHEMBL15492266 0.85 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1ACHEHPGD
SCHEMBL9128425 0.84 ACHE (0.48) ALDH1A1KMT2AMEN1ACHEHPGD
SCHEMBL31239086 0.81 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1ACHEHPGD
SCHEMBL11037197 0.81 MAPT (0.51) ALDH1A1KMT2AMEN1ACHEHPGD
SCHEMBL14882484 0.79 HPGD (0.47) ALDH1A1KMT2AMEN1ACHEHPGD
SCHEMBL26032149 0.78 POLB (0.48) ALDH1A1KMT2AMEN1MAPTTP53
SCHEMBL31361344 0.78 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1ACHEPOLB
SCHEMBL28672990 0.78 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1ACHEPOLB
SCHEMBL10622463 0.77 ACHE (0.58) ALDH1A1KMT2AMEN1ACHEHPGD
SCHEMBL2536563 0.77 TSPO (0.67) ALDH1A1HPGDMAPTTP53POLB

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-113999232-B MAT2A inhibitors 南京正大天晴制药有限公司 2025-01-07 CN disclosed
CN-113999232-A MAT2A inhibitors 南京正大天晴制药有限公司 2022-02-01 CN disclosed