SCHEMBL3823116

SCHEMBL3823116

CCOc1ccc(-c2nc(Nc3cc(C(=O)NC4CC4)ccc3C)sc2OC(=O)NCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.44
MAPK14 Q16539 9/20 0.42
DGAT1 O75907 1/20 0.41
MAPK11 Q15759 7/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
OPRK1 P41145 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
SCHEMBL3822817 0.94 MAPT (0.41) MAPTMEN1KMT2ARAB9AMAPK14
SCHEMBL3815544 0.93 MAPK14 (0.43) MAPTMEN1KMT2ARAB9AMAPK14
SCHEMBL3820489 0.93 MAPK14 (0.49) MAPTMAPK14MAPK11TP53LMNA
SCHEMBL3817610 0.92 MAPT (0.45) MAPTMEN1KMT2AMAPK14MAPK11
SCHEMBL3818023 0.91 MAPK14 (0.45) MAPTMEN1KMT2AMAPK14MAPK11
SCHEMBL3822336 0.91 MAPK14 (0.46) MAPTMAPK14MAPK11TP53LMNA
SCHEMBL3820171 0.91 MAPK14 (0.49) MAPTMAPK14MAPK11TP53LMNA
SCHEMBL3822142 0.91 MAPK14 (0.42) MAPTMAPK14MAPK11TP53LMNA
SCHEMBL3819972 0.91 MAPK14 (0.47) MAPTMEN1KMT2AMAPK14MAPK11
SCHEMBL3814382 0.91 MAPK14 (0.47) MAPTMAPK14MAPK11TP53LMNA

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