SCHEMBL3815544

SCHEMBL3815544

CCOc1cccc(-c2nc(Nc3cc(C(=O)NC4CC4)ccc3C)sc2OC(=O)NCc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.43
MAPK11 Q15759 6/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
RIPK2 O43353 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL3816240 0.93 MAPK14 (0.51) MAPK14MAPK11MAPTRAB9AHPGD
SCHEMBL3823116 0.93 MAPT (0.47) MAPK14MAPK11MAPTRAB9ATP53
SCHEMBL3816739 0.93 MAPK14 (0.42) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3821471 0.92 MAPK14 (0.47) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3823964 0.92 MAPK14 (0.41) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3824492 0.91 MAPK14 (0.46) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3817820 0.90 MAPK14 (0.46) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3813707 0.89 MAPK14 (0.45) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3821065 0.89 MAPK14 (0.45) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3818327 0.89 MAPK14 (0.45) MAPK14MAPK11MAPTTP53LMNA

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
EP-1635824-B1 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP claimed