SCHEMBL5809799

SCHEMBL5809799

O=C(O)c1cc2cc(NS(=O)(=O)Cc3ccccc3)ccc2s1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.67
CYP19A1 P11511 1/20 0.52
HPGD P15428 1/20 0.50
BCL2L1 Q07817 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PGR P06401 1/20 0.46
TBXAS1 P24557 1/20 0.46

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
SCHEMBL1883615 0.90 HDAC1 (0.83) HDAC1CYP19A1
SCHEMBL4183129 0.81 MEN1 (0.50) HDAC1BCL2L1KMT2AMEN1MAPT
SCHEMBL1886482 0.81 HDAC1 (1.00) HDAC1
SCHEMBL6511750 0.79 HDAC1 (0.65) HDAC1
SCHEMBL6508755 0.79 HDAC1 (0.65) HDAC1KMT2AMEN1MAPT
SCHEMBL15697598 0.79 MEN1 (0.55) HDAC1BCL2L1KMT2AMEN1MAPT
SCHEMBL8291893 0.78 HDAC1 (0.65) HDAC1KMT2AMEN1MAPT
SCHEMBL5805558 0.77 HDAC1 (0.81) HDAC1BCL2L1KMT2AMEN1MAPT
SCHEMBL15697524 0.75 PPARA (0.53) HDAC1BCL2L1KMT2AMEN1MAPT
SCHEMBL8866913 0.74 HDAC1 (0.56) HDAC1BCL2L1MAPT

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
WO-2006101454-A1 BENZOTHIOPHENE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD (SG) 2006-09-28 WO claimed