SCHEMBL28543743

SCHEMBL28543743

COc1nc(C)nc(N(C)C(=O)S(=O)(=O)Cc2ccccc2C(=O)O)n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.32
FOLH1 Q04609 1/20 0.32
KDM4E B2RXH2 2/20 0.32
CTSK P43235 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL28542885 0.99 CYP2C9 (0.35) CYP2C9HIF1AALDH1A1KMT2ALMNA
SCHEMBL28505905 0.86 ATM (0.35) CYP2C9HIF1AALDH1A1KMT2ALMNA
SCHEMBL28441705 0.79 ALDH1A1 (0.38) ALDH1A1KMT2ALMNAL3MBTL1TSHR
SCHEMBL28553701 0.76 ALDH1A1 (0.32) ALDH1A1KMT2AMEN1ATML3MBTL1
SCHEMBL29368060 0.76 CA1 (0.42) KMT2AMEN1SMN1; SMN2
SCHEMBL66383 0.76 CA1 (0.42) KMT2AMEN1SMN1; SMN2
SCHEMBL10620301 0.75 MEN1 (0.38) KMT2AMEN1ATML3MBTL1TSHR
SCHEMBL21753451 0.75 CA1 (0.44) ALDH1A1KMT2AMEN1L3MBTL1TSHR
SCHEMBL28551142 0.74 CA1 (0.43) ALDH1A1KMT2AMEN1L3MBTL1TSHR
Tribenuron Methyl SCHEMBL2437168 0.73 MEN1 (0.41) KMT2AMEN1NPC1

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-112358452-A Application of herbicide of sulfonylurea derivatives such as tribenuron-methyl and the like, simple preparation method and comparison of physicochemical properties 南开大学 2021-02-12 CN disclosed