SCHEMBL13636842

SCHEMBL13636842

CC(=O)c1cc(C(C)(C)C)nc(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.44
CYP2A6 P11509 1/20 0.39
LMNA P02545 6/20 0.38
KDM4E B2RXH2 1/20 0.37
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ESRRA P11474 1/20 0.35
HSD17B10 Q99714 2/20 0.34
HMGCR P04035 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AURKA O14965 1/20 0.33
CSF1R P07333 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
SCHEMBL25928593 0.86 CA5A (0.38) CA5ACYP2A6LMNAKDM4EGRN
SCHEMBL6674059 0.82 ALOX15 (0.48) CA5ALMNAKDM4EGRNSORT1
SCHEMBL30989545 0.80 CA5A (0.43) CA5ALMNASMN1; SMN2MEN1ALDH1A1
SCHEMBL1204142 0.76 CA5A (0.48) CA5ALMNAKDM4ESMN1; SMN2HSD17B10
SCHEMBL2776048 0.76 GABRA1 (0.50) CA5ALMNASMN1; SMN2HSD17B10MEN1
SCHEMBL18307709 0.76 ALDH1A1 (0.43) LMNAKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL31085231 0.75 LMNA (0.58) CYP2A6LMNAKDM4ESMN1; SMN2NPC1
SCHEMBL10202654 0.75 LMNA (0.58) CYP2A6LMNAKDM4ESMN1; SMN2NPC1
SCHEMBL17031818 0.75 ADORA2A (0.51) KDM4ESMN1; SMN2NPC1RAB9AMEN1
SCHEMBL17031808 0.75 MEN1 (0.43) LMNAKDM4ESMN1; SMN2NPC1RAB9A

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-2009132453-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-11-05 WO disclosed