SCHEMBL9459397

SCHEMBL9459397

CC(=O)SCC(Cc1ccccc1C)NC(=O)c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
ROCK2 O75116 2/20 0.42
RPS6KA5 O75582 2/20 0.42
PRKACA P17612 2/20 0.42
MAPK1 P28482 2/20 0.42
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
PRKX P51817 2/20 0.42
ROCK1 Q13464 2/20 0.42
PRKG1 Q13976 2/20 0.42
PKN2 Q16513 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
SGK2 Q9HBY8 2/20 0.42
RPS6KA4 O75676 1/20 0.42
IRAK1 P51617 1/20 0.42
NAMPT P43490 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL9459542 0.85 MAPT (0.45) L3MBTL1MAPK1ALDH1A1HPGDKMT2A
SCHEMBL9459228 0.83 CTRB1 (0.53) L3MBTL1ROCK2RPS6KA5PRKACAMAPK1
SCHEMBL9458917 0.80 HTT (0.42) ALDH1A1HPGDPPARGHSD17B10LMNA
SCHEMBL9459027 0.80 SLC7A5 (0.42) ALDH1A1HPGDKMT2AMEN1LMNA
SCHEMBL9459549 0.78 LMNA (0.40) ALDH1A1HPGDKMT2APPARGHSD17B10
SCHEMBL9727438 0.76 PAM (0.41) L3MBTL1ALDH1A1HPGDPPARG
SCHEMBL9459260 0.75 GAA (0.45) MAPK1ALDH1A1KMT2AGAAMEN1
SCHEMBL12518290 0.74 CTSL (0.44) L3MBTL1ROCK2RPS6KA5PRKACAMAPK1
SCHEMBL7398409 0.74 CTRB1 (0.51) L3MBTL1ALDH1A1PPARG
SCHEMBL9727210 0.73 ALDH1A1 (0.38) ALDH1A1HPGDKMT2AGAAMEN1

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-5232920-A For treating hypertension and congestive heart failure in mammals SCHERING CORPORATION (US) 1993-08-03 US disclosed