SCHEMBL8589747

SCHEMBL8589747

COc1nc(C)nc(NC(=O)c2cccc(S(N)(=O)=O)c2CCC(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CA2 P00918 7/20 0.35
CA1 P00915 6/20 0.35
CA9 Q16790 6/20 0.35
CA5A P35218 1/20 0.35
SCN5A Q14524 3/20 0.33
SCN9A Q15858 3/20 0.33
KCNH2 Q12809 2/20 0.33
CA12 O43570 1/20 0.32
THRB P10828 1/20 0.32
MAP3K5 Q99683 1/20 0.32
CYP2C9 P11712 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 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
SCHEMBL8304162 0.82 CA1 (0.50) MEN1KMT2ACA2CA1CA9
SCHEMBL10914174 0.80 KMT2A (0.42) MEN1KMT2ACA2CA1CA9
SCHEMBL28457469 0.80 CA2 (0.40) MEN1KMT2ACA2CA1CA9
SCHEMBL10922897 0.77 MEN1 (0.36) MEN1KMT2ACA2CA1CA9
SCHEMBL9775343 0.74 KMT2A (0.39) MEN1KMT2ACA2CA1CA9
Prosulfuron SCHEMBL56036 0.74 MAPT (0.44) CA2CA1CA9CA12
Prosulfuron SCHEMBL29440211 0.74 MAPT (0.44) CA2CA1CA9CA12
Prosulfuron SCHEMBL30298017 0.74 MAPT (0.44) CA2CA1CA9CA12
SCHEMBL9152873 0.73 MEN1 (0.40) MEN1KMT2ACA2CA1CA9
SCHEMBL30297961 0.71 MEN1 (0.42) MEN1KMT2ACA2CA1CA9

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-H1711-H SYNERGISTIC MIXTURE OF A PYRIMIDINYL-CONTAINING SULFONYL BENZOATE AND A TRIAZOLE-CONTAINING PHENYL METHANESULFONAMIDE E. I. DU PONT (US) 1998-02-03 US disclosed