SCHEMBL2345729

SCHEMBL2345729

CC(C)Nc1cc(OCc2ccccc2)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.49
MAOA P21397 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALOX5 P09917 1/20 0.47
LNPEP Q9UIQ6 3/20 0.46
LTA4H P09960 1/20 0.45
BCHE P06276 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
PTGES O14684 1/20 0.43

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
SCHEMBL8695174 0.88 LNPEP (0.44) MAOBMAOAGAAMAPTRAB9A
SCHEMBL19586631 0.84 MAOB (0.53) MAOBMAOAGAAMAPTRAB9A
Hydrochloric Acid SCHEMBL9893278 0.82 MAOB (0.51) MAOBMAOAGAAMAPTRAB9A
Hydrochloric Acid SCHEMBL9893513 0.82 MAOB (0.46) MAOBMAOAGAAMAPTRAB9A
SCHEMBL17066419 0.81 MAOB (0.50) MAOBMAOAGAAMAPTRAB9A
Hydrochloric Acid SCHEMBL9893532 0.80 MAOB (0.49) MAOBMAOAGAAMAPTRAB9A
SCHEMBL2336280 0.78 BACE1 (0.49) MAOBMAOAMAPTRAB9AL3MBTL1
SCHEMBL14031518 0.78 BRD4 (0.54) MAOBRAB9ASMN1; SMN2LTA4HPTGES
SCHEMBL16882391 0.77 ALDH1A1 (0.46) GAAMAPTSMN1; SMN2L3MBTL1
SCHEMBL2361190 0.77 KDM4E (0.50) MAOBMAOAGAAMAPTRAB9A

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-2011099832-A2 NOVEL BENZIMIDAZOLE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CRYSTALGENOMICS, INC. (KR) 2011-08-18 WO disclosed