SCHEMBL20204849

SCHEMBL20204849

NNc1ccc(NC(=O)CS)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
POLB P06746 2/20 0.55
KMT2A Q03164 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAPT P10636 1/20 0.55
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44

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
SCHEMBL1509976 0.89 MEN1 (0.64) MEN1POLBKMT2AL3MBTL1MAPT
SCHEMBL7923572 0.83 MAPT (0.59) MEN1POLBKMT2AL3MBTL1MAPT
SCHEMBL3027410 0.81 CYP1A1 (0.60) MEN1POLBKMT2AL3MBTL1MAPT
SCHEMBL5804257 0.79 GAA (0.63) MEN1POLBKMT2AL3MBTL1MAPT
SCHEMBL4281634 0.79 POLB (0.73) MEN1POLBKMT2AL3MBTL1MAPT
SCHEMBL7934465 0.79 KMT2A (0.73) MEN1POLBKMT2AL3MBTL1MAPT
SCHEMBL5804324 0.79 SMN1; SMN2 (0.59) MEN1POLBKMT2AL3MBTL1MAPT
SCHEMBL7314984 0.79 ALDH1A1 (0.58) MEN1POLBKMT2AL3MBTL1MAPT
SCHEMBL10698287 0.79 POLB (0.50) MEN1POLBKMT2AL3MBTL1MAPT
SCHEMBL253778 0.78 HDAC1 (0.65) MEN1POLBKMT2AL3MBTL1MAPT

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
WO-2018098473-A1 REAGENTS AND METHODS FOR ANALYSIS OF PROTEINS AND METABOLITES TARGETED BY COVALENT PROBES DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-05-31 WO disclosed