SCHEMBL9717031

SCHEMBL9717031

Cc1ccc(C)c(C(=O)c2ccccc2Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.56
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.55
RAB9A P51151 2/20 0.55
LMNA P02545 2/20 0.55
KDM4E B2RXH2 1/20 0.55
RECQL P46063 1/20 0.50
MAPK13 O15264 4/20 0.49
MAPK12 P53778 4/20 0.49
MAPK11 Q15759 4/20 0.49
MAPK14 Q16539 4/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL9712419 0.87 KMT2A (0.52) ABCB1KMT2AMEN1RAB9ALMNA
SCHEMBL8197244 0.86 RECQL (0.68) ABCB1KMT2AMEN1LMNARECQL
SCHEMBL8459090 0.86 RAB9A (0.53) ABCB1KMT2AMEN1RAB9ALMNA
SCHEMBL7208739 0.86 RAB9A (0.59) KMT2AMEN1RAB9ALMNAKDM4E
SCHEMBL11753699 0.85 TSHR (0.51) KMT2AMEN1RAB9ALMNAMAPK13
SCHEMBL144475 0.85 KMT2A (0.70) ABCB1KMT2AMEN1RAB9ALMNA
SCHEMBL9654244 0.85 RECQL (0.71) ABCB1KMT2AMEN1RAB9ALMNA
SCHEMBL14528312 0.83 MAPK13 (0.59) KMT2ALMNARECQLMAPK13MAPK12
SCHEMBL11109843 0.83 KMT2A (0.52) ABCB1KMT2AMEN1RAB9ALMNA
SCHEMBL11114080 0.83 MAPK13 (0.55) KMT2AMEN1LMNARECQLMAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0499450-A1 Synthesis of 1-aminoanthraquinone HOECHST CELANESE CORPORATION (US) 1992-08-19 EP disclosed
US-5130448-A Condensing ortho substituted benzoic acid and xylene, oxidation, ring closure, ammonolysis and decarboxyalation HOECHST CELANESE CORPORATION (US) 1992-07-14 US disclosed
US-4277477-A TREATING CARDIAC ARRHYTHMIA BASF AKTIENGESELLSCHAFT (DE) 1981-07-07 US disclosed
EP-0000750-A1 1,2-Benzisothiazoles and process for their preparation BASF Aktiengesellschaft (DE) 1979-02-21 EP disclosed