SCHEMBL8234530

SCHEMBL8234530

CCCC(=O)Nc1ccc(-c2cc(COOC)ccc2Cl)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.48
NPC1 O15118 3/20 0.44
GSK3B P49841 2/20 0.44
GSK3A P49840 1/20 0.44
GLA P06280 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTGES O14684 4/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.43
PORCN Q9H237 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
WNT3A P56704 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL8235132 0.92 PIK3CD (0.46) PIK3CDMAPK1PTGESSMN1; SMN2MAPT
SCHEMBL8232417 0.87 PTK2 (0.46) PIK3CDMAPK1PTGESSMN1; SMN2MAPT
SCHEMBL13170600 0.82 DEGS1 (0.52) NPC1SMN1; SMN2MAPTRAB9ADEGS1
SCHEMBL5034938 0.82 PIK3CD (0.48) PIK3CDNPC1GSK3BGSK3AGLA
SCHEMBL8235267 0.82 ABL1 (0.53)
SCHEMBL15681778 0.81 GSK3B (0.51) PIK3CDNPC1GSK3BGSK3AGLA
SCHEMBL13170688 0.80 NPC1 (0.54) NPC1MAPK1LMNASMN1; SMN2MAPT
SCHEMBL13170834 0.80 ABCB1 (0.44) NPC1SMN1; SMN2MAPTPORCNNPSR1
SCHEMBL13170260 0.79 MAPT (0.42) NPC1LMNASMN1; SMN2MAPTNPSR1
SCHEMBL13171494 0.79 ALDH1A1 (0.40) NPC1LMNASMN1; SMN2MAPTNPSR1

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-2007087442-A2 SUBSTITUTED BIARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-08-02 WO disclosed