SCHEMBL7366504

SCHEMBL7366504

OC[C@H](Cc1ccccc1)Nc1ccncc1S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
ROCK2 O75116 3/20 0.45
ROCK1 Q13464 3/20 0.45
RPS6KA5 O75582 1/20 0.45
RPS6KA4 O75676 1/20 0.45
PRKACA P17612 1/20 0.45
MAPK1 P28482 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
IRAK1 P51617 1/20 0.45
PRKX P51817 1/20 0.45
PRKG1 Q13976 1/20 0.45
PKN2 Q16513 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
SGK2 Q9HBY8 1/20 0.45
F2 P00734 14/20 0.44
JAK3 P52333 1/20 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
SCHEMBL7366989 0.79 F2 (0.55) F2PRSS1
SCHEMBL7366988 0.79 F2 (0.55) F2PRSS1
SCHEMBL27503830 0.70 KMT2A (0.58) KDM4EMEN1MAPTKMT2AROCK2
SCHEMBL23211680 0.70 KDM4E (0.51) KDM4EMEN1MAPTKMT2AROCK2
SCHEMBL21410863 0.70 KDM4E (0.51) KDM4EMEN1MAPTKMT2AROCK2
SCHEMBL7348151 0.69 MAPK1 (0.58) KDM4EMEN1MAPTKMT2AROCK2
SCHEMBL7345520 0.69 MAPK1 (0.58) KDM4EMEN1MAPTKMT2AROCK2
SCHEMBL18332505 0.66 MAPK1 (0.54) KDM4EMEN1MAPTKMT2AROCK2
SCHEMBL7350419 0.66 MAPK1 (0.54) KDM4EMEN1MAPTKMT2AROCK2
SCHEMBL10832584 0.66 MAPK1 (0.54) KDM4EMEN1MAPTKMT2AROCK2

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-1997046553-A1 THROMBIN INHIBITORS NOVARTIS AG (CH) 1997-12-11 WO disclosed