SCHEMBL7820189

SCHEMBL7820189

O=C(O)c1cc(Br)ccc1NS(=O)(=O)C1=CC=CN2SNC=C12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.47
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM1A O60341 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MCL1 Q07820 2/20 0.36
BCL2L1 Q07817 1/20 0.36
BCL2A1 Q16548 1/20 0.36
APEX1 P27695 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CCR9 P51686 1/20 0.35
SLC10A2 Q12908 1/20 0.35
SLC10A1 Q14973 1/20 0.35
SLC10A6 Q3KNW5 1/20 0.35
ACLY P53396 1/20 0.34
WDR5 P61964 1/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 2/20 0.34

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
SCHEMBL3741031 0.92 ACLY (0.39) METAP2MEN1KMT2AKDM1ACYP3A4
SCHEMBL3745363 0.88 ACLY (0.49) METAP2ACLY
SCHEMBL3899461 0.85 MEN1 (0.44) MEN1KMT2AALDH1A1WDR5KDM4E
SCHEMBL3900098 0.84 MEN1 (0.40) METAP2MEN1KMT2AMCL1BCL2L1
SCHEMBL3749910 0.83 ACLY (0.34) METAP2ALDH1A1ACLY
SCHEMBL3745614 0.83 CCKBR (0.43) MEN1KMT2AALDH1A1ACLYKDM4E
SCHEMBL3747308 0.82 ACLY (0.47) METAP2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL1882959 0.82 ACLY (0.37) MEN1KMT2AKDM1ACYP2C9CYP2C19
SCHEMBL3911108 0.82 ACLY (0.38) METAP2MCL1ALDH1A1ACLYKDM4E
SCHEMBL3746024 0.82 ACLY (0.41) MEN1KMT2AKDM1AALDH1A1ACLY

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed