SCHEMBL6801751

SCHEMBL6801751

CC(=N)OCCc1nc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.55
ALDH1A1 P00352 1/20 0.53
DDAH1 O94760 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CHRM1 P11229 1/20 0.52
HSD17B10 Q99714 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
PDE10A Q9Y233 1/20 0.50
LMNA P02545 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
Hydrochloric Acid SCHEMBL6801589 0.99 POLB (0.55) POLBMAPTHTTALDH1A1DDAH1
SCHEMBL7078925 0.85 MAPT (0.63) POLBMAPTHTTALDH1A1DDAH1
SCHEMBL9039049 0.80 POLB (0.66) POLBMAPTALDH1A1DDAH1NPC1
SCHEMBL23870902 0.78 MAPT (0.57) POLBMAPTHTTALDH1A1NPC1
SCHEMBL26784996 0.78 MAPT (0.57) POLBMAPTHTTALDH1A1CHRM1
SCHEMBL26785029 0.77 CHRM1 (0.57) POLBMAPTHTTALDH1A1NPC1
SCHEMBL25475182 0.77 ALDH1A1 (0.60) POLBMAPTHTTALDH1A1NPC1
SCHEMBL23870887 0.77 CYP1A2 (0.57) POLBMAPTHTTALDH1A1CHRM1
SCHEMBL230157 0.77 POLB (0.84) POLBMAPTDDAH1NPC1RAB9A
SCHEMBL25475139 0.75 ALDH1A1 (0.65) POLBMAPTHTTALDH1A1CHRM1

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-2004066999-A1 COMPOSITIONS CONTAINING 2, 2’ -METHYLENEBISBENZIMIDAZOLE DERIVATIVES FOR TREATING ISCHEMIA-RELATED NEURONAL DAMAGE ELAN PHARMACEUTICALS, INC. (US) 2004-08-12 WO disclosed