SCHEMBL14239376

SCHEMBL14239376

CC1(C)CCc2nc3cc(-c4cccc(F)c4F)ccc3c(=O)n2C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
PGR P06401 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
WNT1 P04628 2/20 0.36
DYRK1A Q13627 2/20 0.36
WDR5 P61964 1/20 0.36
HPGD P15428 1/20 0.36
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35

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
SCHEMBL14239355 0.92 L3MBTL1 (0.43) L3MBTL1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL14239053 0.89 L3MBTL1 (0.42) L3MBTL1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL14239061 0.86 BACE1 (0.40) L3MBTL1NPC1RAB9A
SCHEMBL14239342 0.85 RAB9A (0.45) L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL6921870 0.85 RAB9A (0.40) L3MBTL1NPC1RAB9ASMN1; SMN2APOBEC3A
SCHEMBL14239059 0.85 RAB9A (0.35) L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL14239051 0.84 RAB9A (0.40) L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL14238974 0.83 L3MBTL1 (0.39) L3MBTL1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL14239058 0.83 METAP2 (0.40) L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL14239811 0.83 RAB9A (0.37) L3MBTL1NPC1RAB9ASMN1; SMN2

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-2012170845-A2 METABOTROPIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF HEFFERNAN MICHELE L R (US) 2012-12-13 WO disclosed