SCHEMBL14820518

SCHEMBL14820518

Cc1ccc(S(=O)(=O)Oc2c(Br)ccc3c(OS(=O)(=O)c4ccc(C)cc4)c(Br)ccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
GAA P10253 3/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
KEAP1 Q14145 1/20 0.42

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
SCHEMBL14806763 0.94 MEN1 (0.46) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL18263184 0.84 ALDH1A1 (0.51) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL11356918 0.80 MEN1 (0.47) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL17287492 0.80 MEN1 (0.49) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL11626961 0.79 KMT2A (0.53) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL11003199 0.75 KMT2A (0.44) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL15514985 0.75 KMT2A (0.45) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL2981001 0.74 TDP1 (0.56) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL29052062 0.74 PAX8 (0.44) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL17287475 0.73 KMT2A (0.49) MEN1KMT2ALMNAALDH1A1MAPT

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
US-8927157-B2 Condensed polycyclic aromatic compound, production process of same, and positive electrode active material for lithium ion secondary battery containing same KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2015-01-06 US disclosed
US-20130078514-A1 CONDENSED POLYCYCLIC AROMATIC COMPOUND, PRODUCTION PROCESS OF SAME, AND POSITIVE ELECTRODE ACTIVE MATERIAL FOR LITHIUM ION SECONDARY BATTERY CONTAINING SAME KEIO UNIVERSITY (JP) 2013-03-28 US disclosed