SCHEMBL8410862

SCHEMBL8410862

O=[N+]([O-])c1ccc(Oc2c(Cl)cc(S(=O)(=O)NC(=NO)Nc3ccc(Cl)cc3)cc2Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
GAA P10253 2/20 0.53
PKM P14618 1/20 0.53
THRA P10827 3/20 0.49
FLT1 P17948 4/20 0.47
FLT4 P35916 4/20 0.47
KDR P35968 4/20 0.47
CYP2C9 P11712 1/20 0.46
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TBXA2R P21731 1/20 0.40
P2RY2 P41231 1/20 0.39
GPR17 Q13304 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8408910 0.89 MEN1 (0.44) KMT2AMEN1GAAPKMFLT1
SCHEMBL1471557 0.87 THRA (0.55) KMT2AMEN1GAAPKMTHRA
SCHEMBL1471384 0.85 KMT2A (0.50) KMT2AMEN1GAAPKMTHRA
SCHEMBL1471382 0.85 KMT2A (0.50) KMT2AMEN1GAAPKMTHRA
SCHEMBL1471229 0.83 CYP2C9 (0.53) KMT2AMEN1GAAPKMTHRA
SCHEMBL1473874 0.81 THRA (0.59) KMT2AMEN1GAAPKMTHRA
SCHEMBL1471950 0.79 KMT2A (0.53) KMT2AMEN1GAAPKMTHRA
SCHEMBL1471953 0.79 KMT2A (0.53) KMT2AMEN1GAAPKMTHRA
SCHEMBL13485840 0.78 THRA (0.59) KMT2AMEN1GAAPKMTHRA
SCHEMBL1471523 0.78 THRA (0.51) KMT2AMEN1GAAPKMTHRA

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-5942546-A Sulfonyl-N-hydroxyguanidine derivatives DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 1999-08-24 US disclosed