SCHEMBL21778097

SCHEMBL21778097

N#CCc1cccc(-c2cncs2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.53
DYRK1A Q13627 2/20 0.43
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
ENPP2 Q13822 1/20 0.41
USP7 Q93009 1/20 0.40
HCRTR1 O43613 3/20 0.40
HCRTR2 O43614 3/20 0.40
TNF P01375 1/20 0.40
FLT3 P36888 1/20 0.39
DYRK2 Q92630 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
TGFBR1 P36897 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
SCHEMBL4536111 0.80 PRKCI (0.53) DYRK1AHCRTR1HCRTR2DYRK2DYRK1B
SCHEMBL17794412 0.80 DYRK1A (0.46) DYRK1AHCRTR1HCRTR2DYRK2DYRK1B
SCHEMBL20834640 0.77 TSHR (0.45) DYRK1AHCRTR1HCRTR2CYP11B1CYP11B2
SCHEMBL4777483 0.77 HCRTR1 (0.46) DYRK1AHCRTR1HCRTR2DYRK2DYRK1B
SCHEMBL29786944 0.76 IDO1 (0.50) DYRK1ADYRK2DYRK1BCYP11B1CYP11B2
SCHEMBL4009763 0.76 MMP3 (0.82) MMP3ENPP2USP7FLT3CYP11B1
SCHEMBL4001097 0.76 MMP3 (0.82) MMP3ENPP2USP7FLT3CYP11B1
SCHEMBL27945878 0.76 DYRK1A (0.43) DYRK1AHCRTR1HCRTR2DYRK2DYRK1B
SCHEMBL4006124 0.74 MMP3 (0.72) MMP3CDK2GSK3BENPP2USP7
SCHEMBL30504282 0.74 MMP3 (0.79) MMP3CDK2GSK3BENPP2USP7

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