SCHEMBL6848795

SCHEMBL6848795

NCC(=O)NS(=O)(=O)c1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
KAT6A Q92794 4/20 0.51
HTR6 P50406 2/20 0.49
EGFR P00533 3/20 0.49
ERBB2 P04626 3/20 0.49
GBA1 P04062 1/20 0.48
GAA P10253 1/20 0.47
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
KMT2A Q03164 1/20 0.43

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
SCHEMBL18028832 0.82 KAT6A (0.51) KAT6AHTR6GBA1GAAHDAC3
SCHEMBL6850555 0.81 FBP1 (0.62) CA1CA2KAT6APGR
SCHEMBL3928646 0.80 EGFR (0.68) CA1CA2EGFRERBB2
SCHEMBL3928657 0.80 CA1 (0.67) CA1CA2KAT6AEGFRERBB2
SCHEMBL26723622 0.80 FBP1 (0.49) KAT6AHTR6EGFRERBB2GAA
SCHEMBL6849915 0.79 CA1 (0.58) CA1CA2EGFRERBB2KMT2A
SCHEMBL6850238 0.79 KAT6A (0.51) CA1CA2KAT6APGR
SCHEMBL13649414 0.79 PKM (0.54) KAT6AHTR6GAAHDAC3HDAC4
SCHEMBL21667705 0.79 KAT6A (0.45) KAT6AHTR6EGFRERBB2GBA1
SCHEMBL6849866 0.77 CA2 (0.62) CA1CA2GAAKMT2A

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-6774212-B2 FOR THERAPY OF VIRAL INFECTION OR AS AN ASSAY STANDARD OR REAGENT BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-10 US disclosed