SCHEMBL1958774

SCHEMBL1958774

CN(C)[C@@H](CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1cccs1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ MAPT P10636 8/20 0.54
▸ PKM P14618 4/20 0.54
▸ POLB P06746 3/20 0.54
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ DUSP3 P51452 1/20 0.49
▸ PTPN5 P54829 1/20 0.49
▸ CACNA1B Q00975 1/20 0.49
▸ APBA1 Q02410 1/20 0.49
▸ PTPN11 Q06124 1/20 0.49
▸ BCL2L1 Q07817 1/20 0.45
▸ DOT1L Q8TEK3 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ GAA P10253 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL1958775 1.00 SMN1; SMN2 (0.57) SMN1; SMN2MAPTPKMPOLBKMT2A
SCHEMBL2481745 0.78 BCL2L1 (0.58) SMN1; SMN2MAPTPKMPOLBKMT2A
SCHEMBL2481747 0.78 BCL2L1 (0.58) SMN1; SMN2MAPTPKMPOLBKMT2A
SCHEMBL1960341 0.75 SMN1; SMN2 (0.86) SMN1; SMN2MAPTPKMPOLBKMT2A
SCHEMBL21542217 0.74 MAPT (0.73) SMN1; SMN2MAPTPKMPOLBKMT2A
SCHEMBL30349527 0.74 MAPT (0.73) SMN1; SMN2MAPTPKMPOLBKMT2A
SCHEMBL1958230 0.74 MAPT (0.56) SMN1; SMN2MAPTPKMPOLBKMT2A
SCHEMBL17555037 0.74 BCL2L1 (0.65) SMN1; SMN2MAPTPKMPOLBKMT2A
SCHEMBL1957469 0.73 SMN1; SMN2 (1.00) SMN1; SMN2MAPTPKMPOLBKMT2A
SCHEMBL2481610 0.72 SMN1; SMN2 (0.93) SMN1; SMN2MAPTPKMPOLBKMT2A

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-2507229-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 — — EP disclosed
WO-2011068561-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 — — WO disclosed
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