SCHEMBL13845652

SCHEMBL13845652

CCOC(=O)c1cc2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)ccc2s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
TP53 P04637 2/20 0.52
AR P10275 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 2/20 0.46
NHERF1 O14745 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GHSR Q92847 1/20 0.45
HIF1A Q16665 4/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GAA P10253 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
SCHEMBL3981939 0.87 MEN1 (0.67) MAPTMEN1KMT2AARSMN1; SMN2
SCHEMBL1883726 0.87 MEN1 (0.64) MAPTMEN1KMT2AARSMN1; SMN2
SCHEMBL16396158 0.81 MAPT (0.58) MAPTMEN1KMT2AARALDH1A1
SCHEMBL15698887 0.79 MAPT (1.00) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL17135408 0.78 MEN1 (0.81) MAPTMEN1KMT2ALMNAHIF1A
SCHEMBL26605120 0.77 MAPT (0.51) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL15697526 0.74 MAPT (0.82) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2845868 0.74 MEN1 (0.73) MAPTMEN1KMT2ALMNACYP3A4
SCHEMBL1888015 0.74 MAPT (0.77) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL18264030 0.73 PTPN2 (0.49) MAPTMEN1KMT2ASMN1; SMN2LMNA

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
EP-1888058-B1 INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-05-20 EP disclosed