SCHEMBL9445905

SCHEMBL9445905

Cc1cc(C)c(S(=O)(=O)O)c(C)c1Nc1ccc2c(c1Nc1c(C)cc(C)c(S(=O)(=O)O)c1C)C(=O)c1ccccc1C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.44
▸ MAPT P10636 8/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ MAPK1 P28482 8/20 0.39
▸ SMN1; SMN2 Q16637 7/20 0.39
▸ TDP1 Q9NUW8 5/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ NSD2 O96028 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ THRB P10828 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ RECQL P46063 2/20 0.39
▸ P2RY1 P47900 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ RAB9A P51151 2/20 0.38

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
SCHEMBL8947711 0.89 MAPK1 (0.46) ELANEMAPTMEN1KMT2ACYP1A2
SCHEMBL25851919 0.85 MAPK1 (0.53) MAPTMEN1KMT2ACYP1A2MAPK1
SCHEMBL20043780 0.85 MAPK1 (0.42) ELANEMAPTMEN1KMT2ACYP1A2
SCHEMBL11596933 0.80 MAPT (0.54) ELANEMAPTMEN1KMT2AMAPK1
SCHEMBL9844573 0.79 GNG2 (0.61) MAPTMEN1KMT2ACYP1A2MAPK1
SCHEMBL30371545 0.78 GNG2 (0.60) MAPTMEN1KMT2ACYP1A2MAPK1
SCHEMBL30887179 0.77 MEN1 (0.46) ELANEMAPTMEN1KMT2ACYP1A2
SCHEMBL7740603 0.77 MEN1 (0.46) ELANEMAPTMEN1KMT2ACYP1A2
SCHEMBL1982687 0.76 MAPT (0.45) ELANEMAPTMEN1KMT2ACYP1A2
SCHEMBL341554 0.76 P2RY1 (0.55) MAPTMEN1KMT2AMAPK1SMN1; SMN2

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
EP-0525073-A1 ANTHRAQUINONES AS INHIBITORS OF SULFIDE PRODUCTION FROM SULFATE-REDUCING BACTERIA. DU PONT (US) 1993-02-03 — — EP disclosed
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