SCHEMBL4751200

SCHEMBL4751200

N[C@H]1CC[C@H](CNc2nc3cc(Cl)c(Cl)cc3o2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNK O75909 2/20 0.39
CDK9 P50750 2/20 0.39
CCNT1 O60563 8/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP3A4 P08684 2/20 0.34
SCN5A Q14524 2/20 0.34
SCN9A Q15858 2/20 0.34
PTGES O14684 2/20 0.34
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
PAK4 O96013 1/20 0.33
PAK1 Q13153 1/20 0.33

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
SCHEMBL4751196 0.84 VCP (0.44) HDAC7HDAC11HDAC8HDAC6PTGES
SCHEMBL4751199 0.84 VCP (0.44) HDAC7HDAC11HDAC8HDAC6PTGES
SCHEMBL2137199 0.71 HDAC7 (0.45) HDAC7HDAC11HDAC8HDAC6
SCHEMBL3957046 0.69 NPC1 (0.51)
SCHEMBL13438929 0.68 PRMT5 (0.39) CCNKCDK9CCNT1
SCHEMBL11935245 0.68 PRMT5 (0.39) CCNKCDK9CCNT1
SCHEMBL13563354 0.67 NPC1 (0.45)
SCHEMBL17733741 0.65 HRH4 (0.49) CCNKCDK9CCNT1PAK4PAK1
SCHEMBL9885082 0.65 HRH4 (0.49) CCNKCDK9CCNT1PAK4PAK1
SCHEMBL11936324 0.65 FBP1 (0.46) PTGES

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-2008134228-A1 BENZOXAZOLE COMPOUNDS H. LUNDBECK A/S (DK) 2008-11-06 WO disclosed