SCHEMBL5593418

SCHEMBL5593418

COc1ccc(C(C)(C)C)cc1C(=O)Nc1ccc(C)c(C2=CCON2CCN2CCOCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
MAPK14 Q16539 3/20 0.43
HSD17B10 Q99714 1/20 0.41
HTR2A P28223 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTR2C P28335 1/20 0.41
GAA P10253 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41
NR1I2 O75469 2/20 0.41
KCNH2 Q12809 2/20 0.41
RAF1 P04049 3/20 0.41
BRAF P15056 2/20 0.41
CHRNA7 P36544 2/20 0.40
PAK1 Q13153 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LCK P06239 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL5593368 0.80 GAA (0.43) L3MBTL1SMN1; SMN2GAABRAFMEN1
SCHEMBL4420074 0.79 RAF1 (0.49) L3MBTL1MAPK14HSD17B10RAF1BRAF
SCHEMBL5593421 0.77 L3MBTL1 (0.43) L3MBTL1MAPK14HSD17B10SMN1; SMN2GAA
SCHEMBL5593400 0.74 RAF1 (0.46) SMN1; SMN2RAF1BRAFNPC1RAB9A
SCHEMBL5593295 0.69 NR1H4 (0.47) SMN1; SMN2GAAMEN1KMT2APOLB
SCHEMBL1600543 0.69 MAPK14 (0.71) MAPK14RAF1BRAFLCK
SCHEMBL4413480 0.69 RAF1 (0.45) MAPK14SMN1; SMN2GAARAF1BRAF
SCHEMBL4551800 0.69 MEN1 (0.46) SMN1; SMN2GAARAF1MEN1KMT2A
SCHEMBL14473322 0.69 MEN1 (0.44) MAPK14SMN1; SMN2GAARAF1BRAF
SCHEMBL4415213 0.69 RAF1 (0.45) MAPK14RAF1BRAFMEN1KMT2A

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-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed