SCHEMBL6801759

SCHEMBL6801759

N=CCOCCc1nc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
CHRM1 P11229 1/20 0.49
DDAH1 O94760 1/20 0.49
PDE10A Q9Y233 2/20 0.48
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46

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 SCHEMBL6801594 0.99 POLB (0.55) POLBNPC1RAB9ACHRM1DDAH1
SCHEMBL593247 0.78 POLB (0.58) POLBNPC1RAB9ACHRM1DDAH1
SCHEMBL591955 0.78 POLB (0.58) POLBNPC1RAB9ACHRM1DDAH1
SCHEMBL230157 0.77 POLB (0.84) POLBNPC1RAB9ACHRM1DDAH1
SCHEMBL9039049 0.76 POLB (0.66) POLBNPC1RAB9ACHRM1DDAH1
SCHEMBL594026 0.75 ALDH1A1 (0.62) POLBNPC1RAB9ADDAH1PDE10A
SCHEMBL8948422 0.74 NPC1 (0.71) POLBNPC1RAB9ACHRM1PDE10A
SCHEMBL6801751 0.73 POLB (0.57) POLBNPC1RAB9ACHRM1DDAH1
SCHEMBL7854448 0.73 POLB (0.92) POLBNPC1RAB9ACHRM1DDAH1
SCHEMBL7006523 0.73 POLB (1.00) POLBNPC1RAB9ACHRM1DDAH1

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