SCHEMBL6848797

SCHEMBL6848797

NC(=O)CNS(=O)(=O)c1cccc(F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 5/20 0.64
GBA1 P04062 1/20 0.55
ALDH1A1 P00352 2/20 0.47
MEP1B Q16820 2/20 0.47
HTR6 P50406 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP14 P50281 1/20 0.46
ADAM17 P78536 1/20 0.46
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

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
SCHEMBL6850559 0.81 KAT6A (0.61) KAT6A
SCHEMBL7114646 0.81 MEP1B (0.47) KAT6AMEP1BKMT2AHDAC8HDAC6
SCHEMBL5239154 0.81 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1MMP1MMP2
SCHEMBL6850069 0.80 MEP1B (0.62) ALDH1A1MEP1BKMT2AMEN1MMP1
SCHEMBL19667212 0.80 MEP1B (0.72) MEP1BKMT2AHDAC8HDAC6
SCHEMBL2969958 0.80 MMP1 (0.59) GBA1ALDH1A1MEP1BKMT2AMEN1
SCHEMBL6849918 0.79 MEP1B (0.50) KAT6AMEP1BKMT2A
SCHEMBL18028832 0.79 KAT6A (0.51) KAT6AGBA1HTR6KMT2AHDAC3
Hydrochloric Acid SCHEMBL5014001 0.79 GBA1 (0.58) KAT6AGBA1ALDH1A1KMT2AHDAC3
SCHEMBL5785004 0.78 KDM4E (0.52) KAT6AMEP1B

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