SCHEMBL21161591

SCHEMBL21161591

CC(C)CCOCCSc1cc2c3c(cccc3c1)C(=O)N(OS(=N)(=O)CC13CCC(CC1=N)C3(C)C)C2=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CXCR3 P49682 2/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA5A P35218 2/20 0.31
CA5B Q9Y2D0 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL13829352 0.88 MEN1 (0.38) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
SCHEMBL24176601 0.77 SMN1; SMN2 (0.33) SMN1; SMN2MEN1KMT2ACXCR3
SCHEMBL13829350 0.77 KMT2A (0.39) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
SCHEMBL13829109 0.75 KMT2A (0.41) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
SCHEMBL13829195 0.74 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
SCHEMBL13829263 0.74 KMT2A (0.40) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
SCHEMBL13829134 0.74 KMT2A (0.40) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
SCHEMBL13829196 0.73 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
SCHEMBL24025853 0.73 MEN1 (0.38) SMN1; SMN2MEN1KMT2AALDH1A1TSHR
SCHEMBL23592277 0.72

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-2524914-B1 SULFONIC ACID DERIVATIVE COMPOUND AND NAPHTHALIC ACID DERIVATIVE COMPOUND ADEKA CORP (JP) 2019-07-03 EP disclosed