SCHEMBL11050144

SCHEMBL11050144

Nc1cc(NC(=O)c2cccc(CS(=O)(=O)CCCl)c2)ccc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
GPR17 Q13304 1/20 0.38
BACE1 P56817 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
AGBL2 Q5U5Z8 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TIMP3 P35625 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 2/20 0.36
PTBP1 P26599 1/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL11055084 0.89 ENPP2 (0.40) KDM4EGPR17KMT2AMEN1USP2
SCHEMBL10541404 0.88 ENPP2 (0.41) KDM4EKMT2AMEN1TIMP3TDP1
SCHEMBL11053268 0.87 CASP6 (0.49) KMT2AMEN1USP2ALDH1A1TIMP3
SCHEMBL11050204 0.85 NT5E (0.44) KMT2AMEN1USP2ALDH1A1TIMP3
SCHEMBL11046533 0.85 CASP6 (0.45) GPR17KMT2AMEN1USP2ALDH1A1
SCHEMBL11050559 0.85 ENPP2 (0.45) GPR17KMT2AMEN1USP2ALDH1A1
SCHEMBL11049471 0.84 ENPP2 (0.40) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL10624886 0.84 KMT2A (0.45) KDM4EKMT2AMEN1USP2ALDH1A1
SCHEMBL11052845 0.84 APEX1 (0.46) KMT2AMEN1USP2ALDH1A1TIMP3
SCHEMBL11046935 0.84 ENPP2 (0.42) KDM4EGPR17KMT2AMEN1MAPT

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