SCHEMBL6589980

SCHEMBL6589980

CCN(CC)CCOc1ncccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 3/20 0.53
LMNA P02545 3/20 0.53
SCN1A P35498 2/20 0.47
SCN2A Q99250 2/20 0.47
SCN3A Q9NY46 2/20 0.47
NAPRT Q6XQN6 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAOB P27338 1/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL6583837 0.85 L3MBTL1 (0.55) ALDH1A1LMNASCN1ASCN2ASCN3A
SCHEMBL1671161 0.83 KDM4E (0.52) ALDH1A1KDM4ELMNANAPRTL3MBTL1
SCHEMBL3084388 0.81 L3MBTL1 (0.50) ALDH1A1KDM4ELMNANAPRTL3MBTL1
SCHEMBL11109763 0.81 BCHE (0.54) KDM4ELMNASCN1ASCN2ASCN3A
SCHEMBL123523 0.81 L3MBTL1 (0.64) ALDH1A1LMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL6160250 0.80 PTPN1 (0.55) ALDH1A1KDM4ELMNAL3MBTL1TDP1
SCHEMBL3083328 0.79 NAPRT (0.49) ALDH1A1KDM4ELMNASCN1ASCN2A
SCHEMBL11338177 0.79 ALDH1A1 (0.76) ALDH1A1KDM4ELMNASCN1ASCN2A
SCHEMBL11451808 0.79 PTPN1 (0.57) ALDH1A1KDM4ELMNAL3MBTL1TDP1
SCHEMBL1505205 0.78 KDM4E (0.50) ALDH1A1KDM4ELMNANAPRTL3MBTL1

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 2 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