SCHEMBL29135949

SCHEMBL29135949

CC(=O)Nc1cccc(Cn2ccc3cc(-c4ccoc4C)ccc3c2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
PTGER3 P43115 3/20 0.40
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 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
SCHEMBL29779055 1.00 MKNK1 (0.43) MKNK1MKNK2LMNAMAPTALOX15
SCHEMBL24617388 0.88 LMNA (0.34) MKNK1MKNK2LMNAMAPTTSHR
SCHEMBL29778646 0.86 MKNK1 (0.45) MKNK1MKNK2LMNAMAPTMEN1
SCHEMBL24617390 0.86 MKNK1 (0.45) MKNK1MKNK2LMNAMAPTMEN1
SCHEMBL29778702 0.84 MKNK1 (0.46) MKNK1MKNK2LMNAMAPTMEN1
SCHEMBL24617705 0.84 MKNK1 (0.46) MKNK1MKNK2LMNAMAPTMEN1
SCHEMBL24616899 0.84 ROCK2 (0.41) LMNAMAPTMEN1TSHRKMT2A
SCHEMBL24617391 0.82 MKNK1 (0.48) MKNK1MKNK2LMNAMAPTMEN1
SCHEMBL29778396 0.82 MKNK1 (0.48) MKNK1MKNK2LMNAMAPTMEN1
SCHEMBL24617332 0.80 MKNK1 (0.47) MKNK1MKNK2LMNAMAPTMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117136186-A Selective inhibitors of ROCK1 and ROCK2 protein kinases and uses thereof 盖诺斯克公司 2023-11-28 CN claimed
CN-117136186-A Selective inhibitors of ROCK1 and ROCK2 protein kinases and uses thereof 盖诺斯克公司 2023-11-28 CN disclosed