SCHEMBL11050468

SCHEMBL11050468

Cc1cc(N)c(S(=O)(=O)O)cc1Cl.O=C(Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(O)c12)c1ccc(CS(=O)(=O)CCCl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 5/20 0.43
HPSE Q9Y251 4/20 0.42
HSD17B10 Q99714 4/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
RECQL P46063 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
P2RY11 Q96G91 3/20 0.42
USP2 O75604 2/20 0.42
MAPT P10636 2/20 0.42
PKM P14618 2/20 0.42
BRCA1 P38398 2/20 0.42
SIRT2 Q8IXJ6 2/20 0.42
SIRT1 Q96EB6 2/20 0.42
CYP1A2 P05177 2/20 0.42
ENPP3 O14638 1/20 0.42
ENTPD3 O75355 1/20 0.42
NR1I2 O75469 1/20 0.42
PRKD3 O94806 1/20 0.42
TDP2 O95551 1/20 0.42

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
SCHEMBL11065963 0.90 TIMP3 (0.48) TIMP3HPSEHSD17B10KMT2AMEN1
SCHEMBL11058588 0.89 APEX1 (0.48) TIMP3HPSEHSD17B10KMT2AMEN1
SCHEMBL11052317 0.89 TIMP3 (0.53) TIMP3HPSEHSD17B10KMT2AMEN1
SCHEMBL11055518 0.88 TIMP3 (0.48) TIMP3HPSEHSD17B10KMT2AMEN1
SCHEMBL11063813 0.88 TIMP3 (0.52) TIMP3HPSEHSD17B10KMT2AMEN1
SCHEMBL11071013 0.87 TIMP3 (0.47) TIMP3HPSEHSD17B10KMT2AMEN1
SCHEMBL11049799 0.86 TIMP3 (0.48) TIMP3HPSEHSD17B10KMT2AMEN1
SCHEMBL11061382 0.86 TIMP3 (0.42) TIMP3HPSEHSD17B10KMT2AMEN1
SCHEMBL11063383 0.84 TIMP3 (0.43) TIMP3HPSEHSD17B10KMT2AMEN1
SCHEMBL11050472 0.84 TIMP3 (0.45) TIMP3HPSEHSD17B10KMT2AMEN1

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-4473498-A Water-soluble, fiber-reactive organic dyestuffs containing a β-chloro-ethylsulfonyl-methyl-benzoic acid amide group HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-25 US disclosed