SCHEMBL9920388

SCHEMBL9920388

Cc1ccc(S(=O)(=O)N/N=C2\CCNC(=O)c3oc4ccc(O)cc4c32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 4/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
TP53 P04637 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
PRKD2 Q9BZL6 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTR6 P50406 2/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
MAOB P27338 1/20 0.37
BCAT1 P54687 1/20 0.35
CYTH2 Q99418 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL9904140 1.00 PRKD1 (0.45) PRKD1ALDH1A1LMNAHTTTP53
SCHEMBL17384887 0.86 PRKD1 (0.47) PRKD1ALDH1A1LMNAHTTTP53
SCHEMBL9904133 0.77 ALDH1A1 (0.50) PRKD1ALDH1A1LMNAHTTTP53
SCHEMBL9920723 0.77 ALDH1A1 (0.50) PRKD1ALDH1A1LMNAHTTTP53
SCHEMBL17384886 0.73 PRKD1 (0.53) PRKD1ALDH1A1LMNAHTTTP53
SCHEMBL9904264 0.73 PRKD1 (0.64) PRKD1ALDH1A1LMNAHTTTP53
SCHEMBL15472031 0.71 PRKD1 (0.61) PRKD1ALDH1A1LMNAHTTTP53
SCHEMBL19696351 0.71 PRKD1 (0.61) PRKD1ALDH1A1LMNAHTTTP53
SCHEMBL9904109 0.69 PRKD1 (0.48) PRKD1ALDH1A1LMNAHTTTP53
SCHEMBL9920805 0.69 PRKD1 (0.48) PRKD1ALDH1A1LMNAHTTTP53

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