SCHEMBL30950751

SCHEMBL30950751

O=C1c2ccccc2C(=O)c2cc3c(cc21)CCCC3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CDC25B P30305 2/20 0.55
BCL2 P10415 1/20 0.52
MCL1 Q07820 1/20 0.52
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPK1 P28482 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.48
MAOA P21397 3/20 0.48
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
TP53 P04637 2/20 0.48
CYP3A4 P08684 2/20 0.48
ELANE P08246 1/20 0.48
CYP2A6 P11509 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
SCHEMBL56388 1.00 MEN1 (0.55) MEN1KMT2ACDC25BBCL2MCL1
SCHEMBL29842380 1.00 MEN1 (0.55) MEN1KMT2ACDC25BBCL2MCL1
SCHEMBL16939654 0.88 CDC25B (0.64) MEN1KMT2ACDC25BALDH1A1MAPK1
SCHEMBL9149950 0.83 CES1 (0.50) MEN1KMT2ABCL2MCL1NPC1
Anthraquinone SCHEMBL29849898 0.81 MAOA (0.64) MEN1KMT2ACDC25BBCL2MCL1
SCHEMBL10824118 0.79 CYP2A6 (0.55) MEN1KMT2ACDC25BBCL2MCL1
Anthraquinone SCHEMBL27997409 0.78 MEN1 (0.63) MEN1KMT2ACDC25BBCL2MCL1
Anthraquinone SCHEMBL28961658 0.77 CDC25B (0.80) MEN1KMT2ACDC25BBCL2MCL1
Anthraquinone SCHEMBL28260408 0.77 MEN1 (0.92) MEN1KMT2ACDC25BBCL2MCL1
SCHEMBL11144928 0.76 CES1 (0.73) MEN1KMT2ACDC25BNPC1RAB9A

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
WO-2024235120-A1 FUSED RING COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2024-11-21 WO disclosed
CN-118215506-A Anthracycline derivative linker reagent, antibody-drug conjugate and method 内尔维亚诺医疗科学公司 2024-06-18 CN disclosed