SCHEMBL4783767

SCHEMBL4783767

Nc1c[c]ccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.61
GAA P10253 3/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
PLA2G7 Q13093 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL5454671 0.80 HTR6 (0.46) HTR6GAAALDH1A1KMT2APOLB
SCHEMBL22028032 0.79 POLB (0.50) HTR6GAAALDH1A1KMT2APOLB
SCHEMBL28252471 0.79 HTR6 (0.45) HTR6GAAALDH1A1KDM4EPKM
SCHEMBL6971370 0.78 KMT2A (0.68) HTR6ALDH1A1KMT2APOLBGFER
SCHEMBL30751995 0.77 HTR6 (1.00) HTR6GAAALDH1A1KDM4EHPGD
SCHEMBL395274 0.77 HTR6 (1.00) HTR6GAAALDH1A1KDM4EHPGD
SCHEMBL28330197 0.76 HTR6 (0.46) HTR6GAAALDH1A1KDM4EPKM
SCHEMBL6963366 0.76 ALDH1A1 (0.48) HTR6GAAALDH1A1KDM4EHPGD
SCHEMBL1691772 0.75 HTR6 (0.45) HTR6GAAALDH1A1KMT2ALMNA
SCHEMBL5451015 0.75 HTR6 (0.65) HTR6GAAALDH1A1KDM4EHPGD

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-2008061160-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS PHARMACYCLICS, INC. (US) 2008-05-22 WO disclosed