SCHEMBL11532159

SCHEMBL11532159

O=C(CBr)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.70
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.65
NPBWR1 P48145 1/20 0.65
MCHR1 Q99705 1/20 0.65
ALDH1A1 P00352 6/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
PKM P14618 1/20 0.58
CNR2 P34972 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
APEX1 P27695 1/20 0.58
POLB P06746 2/20 0.57
HTT P42858 2/20 0.57
KDM4E B2RXH2 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
TP53 P04637 1/20 0.56

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
SCHEMBL11527568 0.99 TDP1 (0.68) TDP1KMT2AMEN1NPBWR1MCHR1
SCHEMBL11353367 0.84 TDP1 (0.71) TDP1KMT2AMEN1NPBWR1MCHR1
SCHEMBL5510039 0.83 TDP1 (0.69) TDP1KMT2AMEN1NPBWR1MCHR1
SCHEMBL11711932 0.82 TDP1 (1.00) TDP1KMT2AMEN1NPBWR1MCHR1
SCHEMBL4715327 0.81 TDP1 (0.97) TDP1KMT2AMEN1NPBWR1MCHR1
SCHEMBL4717650 0.81 TDP1 (0.97) TDP1KMT2AMEN1NPBWR1MCHR1
SCHEMBL11351226 0.80 ALDH1A1 (0.69) TDP1KMT2AMEN1NPBWR1MCHR1
SCHEMBL11172255 0.79 GSK3B (0.50) TDP1KMT2AMEN1TSHR
SCHEMBL11634436 0.79 MEN1 (0.50) TDP1KMT2AMEN1NPBWR1MCHR1
SCHEMBL23677284 0.79 LMNA (0.71) TDP1KMT2AMEN1NPBWR1MCHR1

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
US-4156735-A SALIDIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1979-05-29 US disclosed
US-4118501-A SALIDIURETIC ACTIVITY HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed