SCHEMBL29782813

SCHEMBL29782813

O=S(=O)(CCCl)c1cccc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
MMP2 P08253 2/20 0.42
WDR5 P61964 1/20 0.40
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
HSD11B1 P28845 1/20 0.38
PGR P06401 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
KAT6A Q92794 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MBTD1 Q05BQ5 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
BRD4 O60885 1/20 0.37
HSD17B2 P37059 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EDNRB P24530 2/20 0.36
EDNRA P25101 2/20 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
SCHEMBL17699828 1.00 ATM (0.43) ATMMMP2WDR5FLT1FLT4
SCHEMBL55285 0.86 CA1 (0.44) HSD11B1MEN1KMT2AL3MBTL1
SCHEMBL3600024 0.85 ATM (0.49) ATMMMP2WDR5FLT1FLT4
SCHEMBL17364184 0.85 ATM (0.45) ATMMMP2WDR5HSD11B1PGR
SCHEMBL1369921 0.81 CA2 (0.47) ATMMMP2WDR5FLT1FLT4
SCHEMBL28605173 0.81 ATM (0.43) ATMMMP2WDR5HSD11B1PGR
SCHEMBL263686 0.81 ATM (0.46) ATMMMP2KAT6AHSD17B2L3MBTL1
SCHEMBL4251866 0.80 PLCG1 (0.56) ATMMMP2WDR5PGREGFR
SCHEMBL2555899 0.80 ATM (0.42) ATMMMP2WDR5HSD11B1PGR
SCHEMBL1369364 0.79 CA2 (0.50) ATMMMP2WDR5HSD11B1EGFR

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
CN-110511209-B Indole carboxamide compounds useful as kinase inhibitors 百时美施贵宝公司 2022-07-05 CN disclosed