SCHEMBL9145859

SCHEMBL9145859

CCCCN1C(=O)c2ccc3c4cccc5c(S(=O)(=O)O)ccc(c6ccc(c2c36)C1=O)c54

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.53
▸ RGS12 O14924 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ TLR9 Q9NR96 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ STAT3 P40763 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ BRD4 O60885 9/20 0.47
▸ TERT O14746 3/20 0.45
▸ DYRK3 O43781 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ EPHA2 P29317 1/20 0.44

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
SCHEMBL9148660 0.88 BRD4 (0.50) MEN1KMT2AUSP2MAPTATM
SCHEMBL9139205 0.83 MEN1 (0.51) MEN1KMT2AUSP2POLBATM
SCHEMBL4812097 0.82 STAT3 (0.69) MEN1RGS12HTTKMT2AUSP2
SCHEMBL16557130 0.81 STAT3 (0.55) MEN1RGS12HTTKMT2AUSP2
SCHEMBL29353577 0.80 MEN1 (0.60) MEN1RGS12HTTKMT2AUSP2
SCHEMBL9006265 0.79 ALDH1A1 (0.48) MEN1RGS12HTTKMT2AUSP2
SCHEMBL9006326 0.78 CYP1B1 (0.61) MEN1KMT2AUSP2MAPTATM
SCHEMBL18378984 0.78 STAT3 (0.63) MEN1RGS12HTTKMT2AUSP2
SCHEMBL29384023 0.77 STAT3 (0.67) MEN1RGS12HTTKMT2AUSP2
SCHEMBL2671337 0.77 STAT3 (0.67) MEN1RGS12HTTKMT2AUSP2

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-5472494-A Coloring macromolecules BASF AKTIENGESELLSCHAFT (DE) 1995-12-05 — — US disclosed
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