SCHEMBL4858808

SCHEMBL4858808

Cc1ccc(-c2nc(C#N)n(S(=O)(=O)NN(C)C)c2Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
KMT2A Q03164 2/20 0.36
ERBB2 P04626 1/20 0.36
MYC P01106 1/20 0.35
WDR5 P61964 1/20 0.35
ADORA1 P30542 5/20 0.34
ADORA2B P29275 1/20 0.34
ADORA2A P29274 3/20 0.33
KDM1A O60341 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 1/20 0.32
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL932694 0.85 KMT2A (0.38) CYP1A2CYP2C9CYP2C19KMT2AERBB2
SCHEMBL1389232 0.83 PTGS2 (0.37) CYP1A2CYP2C9CYP2C19KMT2AERBB2
SCHEMBL9520829 0.76 PTGS2 (0.39) CYP1A2CYP2C9CYP2C19KMT2AERBB2
SCHEMBL9323989 0.73 TSHR (0.49) CYP1A2CYP2C9CYP2C19KMT2AERBB2
SCHEMBL933896 0.73 ADORA1 (0.42) KMT2AADORA1ADORA2BADORA2ASMN1; SMN2
SCHEMBL933331 0.72 TSHR (0.34) KMT2ASMN1; SMN2LMNAMAPTHPGD
SCHEMBL25353994 0.72 KMT2A (0.43) CYP1A2CYP2C9CYP2C19KMT2AERBB2
SCHEMBL7060625 0.72 KMT2A (0.43) CYP1A2CYP2C9CYP2C19KMT2AERBB2
Cyazofamid SCHEMBL22923 0.70 PTGS2 (0.38) CYP1A2CYP2C9CYP2C19KMT2AERBB2
Cyazofamid SCHEMBL16180421 0.70 PTGS2 (0.38) CYP1A2CYP2C9CYP2C19KMT2AERBB2

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
WO-2008114304-A2 COMPOSITIONS, METHOD AND USE OF COMPOUNDS MADE UP OF MICROORGANISMS FOR CONTROLLING PHYTOPATOGENIC AND/OR MYCOTOXIGENIC FUNGI AND LIMITING MYCOTOXIN LEVELS UNIVERSITA DEGLI STUDI DEL MOLISE (IT) 2008-09-25 WO disclosed