SCHEMBL9920690

SCHEMBL9920690

O=C1NCCSc2c1sc1ccc(S(=O)(=O)C(F)(F)F)cc21

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 6/20 0.61
PRKD2 Q9BZL6 2/20 0.61
PRKD3 O94806 1/20 0.61
CDK1 P06493 3/20 0.58
MAPKAPK2 P49137 3/20 0.58
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MIF P14174 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
SCHEMBL9919702 0.76 PRKD1 (0.71) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL29920016 0.76 PRKD1 (1.00) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL15472000 0.76 PRKD1 (0.71) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL9920595 0.76 PRKD1 (1.00) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL9920647 0.76 PRKD1 (0.67) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL6651109 0.73 MAPKAPK2 (1.00) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL9904371 0.71 MAPKAPK2 (0.74) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL15465380 0.71 PRKD1 (1.00) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL9920611 0.71 PRKD1 (0.62) PRKD1PRKD2PRKD3CDK1MAPKAPK2
SCHEMBL9920607 0.69 PRKD1 (1.00) PRKD1PRKD2PRKD3CDK1MAPKAPK2

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-2012078859-A2 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-06-14 WO disclosed