SCHEMBL30130196

SCHEMBL30130196

O=C1c2cc3ccccc3cc2C(=O)c2cc3ccccc3cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CDC25B P30305 1/20 0.56
MCL1 Q07820 2/20 0.52
BCL2 P10415 1/20 0.52
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
ALDH1A1 P00352 5/20 0.48
MAPK1 P28482 4/20 0.48
CASP1 P29466 3/20 0.48
CASP7 P55210 3/20 0.48
TP53 P04637 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
GSTP1 P09211 1/20 0.48
PABPC1 P11940 1/20 0.48
DNMT1 P26358 1/20 0.48
ELANE P08246 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL354514 1.00 MEN1 (0.56) MEN1KMT2ACDC25BMCL1BCL2
SCHEMBL29364188 1.00 MEN1 (0.56) MEN1KMT2ACDC25BMCL1BCL2
SCHEMBL29634145 0.97 MEN1 (0.53) MEN1KMT2ACDC25BMCL1BCL2
SCHEMBL30458681 0.97 MEN1 (0.53) MEN1KMT2ACDC25BMCL1BCL2
SCHEMBL16144676 0.97 MEN1 (0.53) MEN1KMT2ACDC25BMCL1BCL2
Ammonia Solution, Strong SCHEMBL28255083 0.97 MEN1 (0.53) MEN1KMT2ACDC25BMCL1BCL2
SCHEMBL10057987 0.94 MEN1 (0.50) MEN1KMT2ACDC25BMCL1BCL2
SCHEMBL236156 0.94 MEN1 (0.67) MEN1KMT2ACDC25BMCL1BCL2
SCHEMBL2516264 0.94 MEN1 (0.50) MEN1KMT2ACDC25BMCL1BCL2
SCHEMBL54876 0.94 MEN1 (0.50) MEN1KMT2ACDC25BMCL1BCL2

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-111905746-B Refined catalyst of cyclic formaldehyde derivative and application thereof 成都中科凯特科技有限公司 2023-03-21 CN disclosed
CN-115611896-A Compound containing tetralone or tetrahydropyridopyrimidone skeleton and preparation method and pharmaceutical application thereof 中国药科大学 2023-01-17 CN disclosed