SCHEMBL13199547

SCHEMBL13199547

COc1cc2c(cc1NS(C)(=O)=O)OC(C)(C)[C@H](O)[C@H]2N

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DPP4 P27487 1/20 0.37
BRD4 O60885 2/20 0.36
NR3C1 P04150 5/20 0.33
KCNE1 P15382 1/20 0.33
KCNQ1 P51787 1/20 0.33
PGR P06401 3/20 0.33
NR3C2 P08235 3/20 0.33
AR P10275 1/20 0.33
MAPK1 P28482 1/20 0.33
PTPN1 P18031 1/20 0.32

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
Hydrochloric Acid SCHEMBL5662679 0.99 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2DPP4
Hydrochloric Acid SCHEMBL5664658 0.99 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2DPP4
SCHEMBL2891954 0.83 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2DPP4
SCHEMBL5988553 0.83 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2DPP4
SCHEMBL2891956 0.83 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2DPP4
SCHEMBL5664620 0.81 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5664623 0.81 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2889524 0.78 IDO1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2NR3C1
SCHEMBL13199544 0.77 ABCB1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2889416 0.76 KCNA5 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2NR3C1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718629-B1 Benzopyran compounds useful for the treatment of arrhytmia NISSAN CHEMICAL IND LTD (JP) 2012-12-26 EP disclosed
US-7781483-B2 Benzopyran compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-08-24 US disclosed