SCHEMBL10453046

SCHEMBL10453046

O=S(=O)(NCCc1cc[c]cc1)c1ccc(Br)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SIGMAR1 Q99720 2/20 0.51
TAAR1 Q96RJ0 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PRMT1 Q99873 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PPARG P37231 2/20 0.51
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
RAB9A P51151 1/20 0.49

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
SCHEMBL10452817 0.84 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ATAAR1HSD17B10
SCHEMBL5187444 0.84 TAAR1 (0.72) ALDH1A1MEN1KMT2ATAAR1HSD17B10
SCHEMBL5524577 0.84 ALDH1A1 (0.79) ALDH1A1MEN1KMT2ATAAR1HSD17B10
SCHEMBL9330609 0.84 MEN1 (0.68) ALDH1A1MEN1KMT2ATAAR1HSD17B10
SCHEMBL3915476 0.84 PRMT1 (0.71) ALDH1A1MEN1KMT2ATAAR1HSD17B10
SCHEMBL5187812 0.84 TDP1 (0.67) ALDH1A1MEN1KMT2ATAAR1HSD17B10
SCHEMBL29019309 0.81 ALDH1A1 (0.84) ALDH1A1MEN1KMT2ASIGMAR1SMN1; SMN2
SCHEMBL3913390 0.81 TAAR1 (0.72) ALDH1A1MEN1KMT2ATAAR1SMN1; SMN2
SCHEMBL5185902 0.81 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ATAAR1HSD17B10
SCHEMBL5188475 0.81 ALDH1A1 (0.81) ALDH1A1MEN1KMT2ASMN1; SMN2PPARG

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-0221344-B1 SULPHONYL-PHENYL ALKYL AMINES, PROCESS FOR THEIR PREPARATION AND MEDICINES Roche Diagnostics GmbH (DE) 1990-05-23 EP disclosed
EP-0221344-A1 Sulphonyl-phenyl alkyl amines, process for their preparation and medicines Roche Diagnostics GmbH (DE) 1987-05-13 EP disclosed