SCHEMBL11601837

SCHEMBL11601837

CC(C)(C)c1ccc2nc(Sc3ccc(Sc4nc5ccc(C(C)(C)C)cc5s4)c4c3C(=O)c3c(Sc5nc6ccc(C(C)(C)C)cc6s5)ccc(Sc5nc6ccc(C(C)(C)C)cc6s5)c3C4=O)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 6/20 0.45
▸ MAPT P10636 5/20 0.44
▸ TP53 P04637 3/20 0.44
▸ PKM P14618 2/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ PTGES O14684 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ KEAP1 Q14145 1/20 0.38
▸ PTPN1 P18031 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL11603253 0.80 PPARA (0.50) PPARAMAPTTP53PKMKMT2A
SCHEMBL11605260 0.79 KMT2A (0.58) MAPTTP53PKMKMT2ALMNA
SCHEMBL11604954 0.79 SMN1; SMN2 (0.50) MAPTTP53PKMKMT2ALMNA
SCHEMBL13483828 0.77 KEAP1 (0.61) PPARAMAPTPKMKMT2ALMNA
SCHEMBL11603724 0.76 ALOX5 (0.47) PPARAMAPTTP53PKMKMT2A
SCHEMBL11606808 0.76 PKM (0.65) MAPTTP53PKMKMT2ALMNA
SCHEMBL11602024 0.76 ALDH1A1 (0.56) MAPTTP53PKMKMT2ALMNA
SCHEMBL11606470 0.75 SMN1; SMN2 (0.41) MAPTTP53PKMKMT2ALMNA
SCHEMBL11605659 0.74 DYRK1A (0.43) PPARAMAPTTP53PKMKMT2A
SCHEMBL13762386 0.73 PPARA (0.47) PPARAMAPTTP53KMT2ALMNA

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-4096111-A (BENZOTHIAZOLYL-THIO)-SUBSTITUTED ANTHRAQUINONES BAYER AKTIENGESELLSCHAFT (DT) 1978-06-20 — — US disclosed
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