SCHEMBL9019045

SCHEMBL9019045

N#CC(c1ccccc1)c1nccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 8/20 0.43
ALDH1A1 P00352 4/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDPK1 O15530 1/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GRM5 P41594 1/20 0.39
AURKA O14965 1/20 0.37
PIM1 P11309 1/20 0.37
CDK2 P24941 1/20 0.37
GSK3B P49841 1/20 0.37
TRPA1 O75762 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL11627313 0.83 ALDH1A1 (0.46) CTSAALDH1A1HTTL3MBTL1GAA
SCHEMBL7901954 0.76 CTSA (0.48) CTSAALDH1A1PDPK1SLC6A3GRM5
SCHEMBL11172666 0.73 KMT2A (0.47) CTSAPDPK1RAB9ASLC6A3TSHR
SCHEMBL8432353 0.73 CTSA (0.46) CTSAPDPK1NPC1RAB9ASLC6A3
SCHEMBL6848050 0.73 ALOX5 (0.52) CTSAPDPK1NPC1RAB9ASLC6A3
SCHEMBL2593428 0.73 CTSA (0.46) CTSAPDPK1NPC1RAB9ASLC6A3
SCHEMBL16055379 0.72 ALDH1A1 (0.43) CTSAALDH1A1HTTPDPK1GAA
SCHEMBL181005 0.72 TSHR (0.56) ALDH1A1HTTL3MBTL1GAANPC1
SCHEMBL11631498 0.72 ALDH1A1 (0.45) ALDH1A1HTTL3MBTL1GAANPC1
SCHEMBL6218499 0.71 LMNA (0.37) CTSAALDH1A1PDPK1GRM5TSHR

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 7 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
WO-2014057139-A2 PRECURSOR MOLECULE FOR THE SYNTHESIS OF D-LUCIFERIN ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2014-04-17 WO disclosed
EP-2719703-A1 Precursor molecule for the synthesis of D-luciferin Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) 2014-04-16 EP disclosed
EP-0749957-A1 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-12-27 EP disclosed
US-4081544-A ANTIDEPRESSANTS SCHERING CORPORATION (US) 1978-03-28 US disclosed
US-3932431-A ANTIDEPRESSANT, ANTIINFLAMMATORY SCHERING CORPORATION (US) 1976-01-13 US disclosed