SCHEMBL6583837

SCHEMBL6583837

CCOC(=O)c1cccnc1OCCN(CC)CC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.55
ALDH1A1 P00352 5/20 0.55
MAPK1 P28482 1/20 0.52
NPC1 O15118 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
RAB9A P51151 1/20 0.51
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
SCN1A P35498 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN3A Q9NY46 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL6589980 0.85 ALDH1A1 (0.53) L3MBTL1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL7239484 0.84 L3MBTL1 (0.62) L3MBTL1ALDH1A1MAPK1NPC1SMN1; SMN2
SCHEMBL1313733 0.84 L3MBTL1 (0.74) L3MBTL1ALDH1A1MAPK1NPC1SMN1; SMN2
SCHEMBL29173176 0.83 L3MBTL1 (0.60) L3MBTL1ALDH1A1MAPK1NPC1SMN1; SMN2
SCHEMBL6472886 0.82 L3MBTL1 (0.59) L3MBTL1ALDH1A1MAPK1NPC1SMN1; SMN2
SCHEMBL6043936 0.81 L3MBTL1 (0.58) L3MBTL1ALDH1A1MAPK1NPC1SMN1; SMN2
SCHEMBL311599 0.80 L3MBTL1 (0.59) L3MBTL1ALDH1A1MAPK1NPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL11672178 0.80 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2LMNAPOLBSCN1A
SCHEMBL6587986 0.78 HTT (0.56) ALDH1A1MAPK1NPC1SMN1; SMN2RAB9A
SCHEMBL11109763 0.78 BCHE (0.54) MAPTHTTLMNASCN1ASCN2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177178-B1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF ABBOTT GMBH & CO KG (DE) 2004-12-29 EP disclosed
US-6696437-B1 Heterocyclically substituted benzimidazoles, the production and application thereof ABBOTT GMBH & CO. KG (DE) 2004-02-24 US disclosed
EP-1177178-A1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2002-02-06 EP disclosed
WO-2000068206-A1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2000-11-16 WO disclosed