SCHEMBL11761460

SCHEMBL11761460

Nc1c(SCCOc2ccccc2)cc(O)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.46
▸ KMT2A Q03164 8/20 0.46
▸ POLB P06746 4/20 0.46
▸ FGB P02675 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ GAA P10253 1/20 0.46
▸ ADORA2A P29274 2/20 0.43
▸ KCNA3 P22001 1/20 0.42
▸ L3MBTL1 Q9Y468 4/20 0.42
▸ AR P10275 2/20 0.42
▸ TDP1 Q9NUW8 5/20 0.40
▸ MAPT P10636 5/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MAOA P21397 2/20 0.40
▸ MAOB P27338 2/20 0.40

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
SCHEMBL9176658 0.83 MEN1 (0.51) MEN1KMT2APOLBFGBLMNA
SCHEMBL9620077 0.82 MEN1 (0.50) MEN1KMT2APOLBFGBNPC1
SCHEMBL31718809 0.82 MEN1 (0.50) MEN1KMT2APOLBFGBNPC1
SCHEMBL10895437 0.80 KCNA3 (0.52) MEN1KMT2APOLBNPC1LMNA
SCHEMBL11761817 0.80 ADORA2A (0.44) MEN1KMT2APOLBFGBNPC1
SCHEMBL12311505 0.79 KCNA3 (0.54) MEN1KMT2APOLBLMNARAB9A
SCHEMBL11759366 0.79 KCNA3 (0.58) MEN1KMT2APOLBLMNARAB9A
SCHEMBL28124672 0.79 AURKA (0.47) MEN1KMT2APOLBLMNAKDM4E
SCHEMBL11762190 0.79 ADORA2A (0.48) MEN1KMT2APOLBFGBNPC1
SCHEMBL10609299 0.78 MEN1 (0.45) MEN1KMT2APOLBFGBNPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4008222-A POLYESTERS BAYER AKTIENGESELLSCHAFT (DT) 1977-02-15 — — US disclosed
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