SCHEMBL21778112

SCHEMBL21778112

NCC(N)c1cccc(-c2nccs2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.51
PDPK1 O15530 1/20 0.49
CYP2A6 P11509 1/20 0.44
CTSA P10619 5/20 0.41
KCNB1 Q14721 6/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
KCNA5 P22460 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT1 Q99873 1/20 0.39
FFAR1 O14842 1/20 0.39
ADRB2 P07550 1/20 0.38

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
SCHEMBL20545939 0.82 CTSA (0.57) CTSAPTGDR2
SCHEMBL20545938 0.82 CTSA (0.57) CTSAPTGDR2
SCHEMBL29793545 0.82 PDPK1 (0.51) LOXL2PDPK1CYP2A6CTSAKCNB1
SCHEMBL5888543 0.82 PDPK1 (0.51) LOXL2PDPK1CYP2A6CTSAKCNB1
SCHEMBL28405984 0.82 PDPK1 (0.51) LOXL2PDPK1CYP2A6CTSAKCNB1
SCHEMBL13801391 0.78 PDPK1 (0.55) LOXL2PDPK1CYP2A6CTSAKCNB1
SCHEMBL15805858 0.77 PDPK1 (0.72) LOXL2PDPK1CYP2A6PTGDR2CARM1
SCHEMBL30671345 0.77 KCNB1 (0.51) CTSAKCNB1KCNA5
SCHEMBL24227164 0.77 PDPK1 (0.49) LOXL2PDPK1CYP2A6CTSAKCNB1
SCHEMBL27992983 0.76 PDPK1 (0.51) LOXL2PDPK1CYP2A6CTSAKCNB1

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-3843724-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE National Health Research Institutes (TW) 2021-07-07 EP disclosed
WO-2020047360-A1 BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2020-03-05 WO disclosed