SCHEMBL7745895

SCHEMBL7745895

Cc1cccc(C)c1NC(=O)CSc1cc(S(=O)(=O)C(C)(C)C)c(O)c(S(=O)(=O)C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
KMT2A Q03164 5/20 0.43
POLB P06746 3/20 0.43
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 3/20 0.42
MEN1 O00255 3/20 0.42
SCN1A P35498 2/20 0.42
SCN2A Q99250 2/20 0.42
SCN3A Q9NY46 2/20 0.42
ALOX15 P16050 1/20 0.42
RXFP1 Q9HBX9 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 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
SCHEMBL7703078 0.81 POLB (0.48) MAPTGAAKDM4EALOX12HTT
SCHEMBL9558860 0.79 MAPT (0.49) MAPTGAAKDM4EALOX12HTT
SCHEMBL9558402 0.76 MAPT (0.50) MAPTGAAKDM4EALOX12HTT
SCHEMBL7701328 0.70 TDP1 (0.48) MAPTGAAHTTSMN1; SMN2KMT2A
SCHEMBL7698688 0.69 HDAC3 (0.51) MAPTGAAHTTSMN1; SMN2KMT2A
SCHEMBL7698636 0.68 HPGD (0.48) MAPTGAAKDM4EHTTKMT2A
SCHEMBL10567638 0.68 POLB (0.60) MAPTGAAKDM4EALOX12HTT
SCHEMBL30229280 0.68 HDAC3 (0.52) MAPTGAAHTTSMN1; SMN2KMT2A
SCHEMBL9475290 0.67 LMNA (0.63) KDM4EHTTSMN1; SMN2KMT2APOLB
SCHEMBL9559110 0.67 TDP1 (0.50) MAPTGAAKDM4EHTTSMN1; 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
WO-2001021166-A1 TREATMENT AND PREVENTION OF HEPATIC DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-03-29 WO claimed