SCHEMBL6757232

SCHEMBL6757232

c1ccc2[nH]c(CCC3CCCC3)nc2c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
POLB P06746 1/20 0.60
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
IDO1 P14902 1/20 0.54
DDAH1 O94760 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRNA7 P36544 1/20 0.51
HTT P42858 1/20 0.50

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
SCHEMBL4110878 0.98 LMNA (0.64) LMNAPOLBNPC1RAB9AIDO1
SCHEMBL6753966 0.90 POLB (0.64) LMNAPOLBNPC1RAB9AIDO1
SCHEMBL6448765 0.88 POLB (0.67) LMNAPOLBNPC1RAB9AIDO1
SCHEMBL8700939 0.88 POLB (0.57) LMNAPOLBNPC1RAB9AIDO1
SCHEMBL2948984 0.87 POLB (0.65) LMNAPOLBNPC1RAB9AIDO1
SCHEMBL4111972 0.85 IDO1 (0.70) LMNAPOLBNPC1RAB9AIDO1
SCHEMBL6759257 0.84 IDO1 (0.68) LMNAPOLBNPC1RAB9AIDO1
SCHEMBL5792173 0.80 POLB (0.62) LMNAPOLBNPC1RAB9AIDO1
SCHEMBL230157 0.79 POLB (0.84) POLBNPC1RAB9ADDAH1CHRM1
SCHEMBL1825671 0.78 IDO1 (0.79) LMNAPOLBNPC1RAB9AIDO1

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
US-6712262-B2 BENZIMIDAZOLE AND IODINE COMPOUNDS TAMURAKAKEN CORPORATION (JP) 2004-03-30 US disclosed