SCHEMBL14799994

SCHEMBL14799994

Cc1ccc(S(=O)(=O)Oc2cc3cc(OS(=O)(=O)c4ccc(C)cc4)c(Br)cc3cc2Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
CYP1A2 P05177 2/20 0.48
GAA P10253 3/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK1 P28482 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
GFER P55789 1/20 0.44
CA12 O43570 3/20 0.41
CA2 P00918 3/20 0.41
CYP2C19 P33261 2/20 0.41
CA1 P00915 1/20 0.41
CA3 P07451 1/20 0.41

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
SCHEMBL14806768 0.94 KMT2A (0.45) KMT2AMEN1CYP1A2GAAESR1
SCHEMBL8132928 0.78 LMNA (0.56) KMT2AMEN1CYP1A2GAAESR1
SCHEMBL31235679 0.78 LMNA (0.56) KMT2AMEN1CYP1A2GAAESR1
SCHEMBL26419786 0.78 LMNA (0.47) KMT2AMEN1CYP1A2GAAESR1
SCHEMBL6741027 0.76 CYP1A2 (0.61) KMT2AMEN1CYP1A2GAAESR1
SCHEMBL2293006 0.75 KMT2A (0.43) KMT2AMEN1CYP1A2GAAESR1
SCHEMBL31014003 0.75 KMT2A (0.46) KMT2AMEN1CYP1A2GAAESR1
SCHEMBL11626961 0.75 KMT2A (0.53) KMT2AMEN1CYP1A2GAAESR1
SCHEMBL6743118 0.74 KMT2A (0.50) KMT2AMEN1CYP1A2GAAESR1
SCHEMBL6937941 0.74 KMT2A (0.50) KMT2AMEN1CYP1A2GAAESR1

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
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-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
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