SCHEMBL9777945

SCHEMBL9777945

O=S(=O)(O)COc1ccc(C(O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
GAA P10253 5/20 0.44
ALDH1A1 P00352 4/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MMP1 P03956 1/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
XBP1 P17861 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AR P10275 1/20 0.42
TP53 P04637 2/20 0.40
SGMS1 Q86VZ5 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
SCHEMBL9777989 0.84 TBXA2R (0.49) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL9777985 0.83 ADRB2 (0.46) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL2840998 0.81 PGR (0.60) KMT2AMEN1CA1CA2GAA
SCHEMBL10591996 0.80 CA1 (0.54) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL10591985 0.80 CA1 (0.54) KMT2AMEN1CA1CA2GAA
SCHEMBL9778016 0.80 SMN1; SMN2 (0.58) ADRB3GAAALDH1A1NPSR1SMN1; SMN2
SCHEMBL24590667 0.79 CA1 (0.56) KMT2AMEN1CA1CA2GAA
SCHEMBL28910541 0.79 MAPT (0.58) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL9777998 0.75 TBXA2R (0.64) KMT2AMEN1CA1CA2ALDH1A1
SCHEMBL9777965 0.73 ALDH1A1 (0.63) ALDH1A1MAPTNPSR1

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
US-4999345-A Anticoagulants BASF AKTIENGESELLSCHAFT (DE) 1991-03-12 US disclosed