SCHEMBL27520135

SCHEMBL27520135

CCC(=NOC)c1ccc(Br)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.52
GSK3B P49841 1/20 0.45
DGAT1 O75907 1/20 0.44
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TRPA1 O75762 1/20 0.36
ADRA1A P35348 2/20 0.36
CCR5 P51681 1/20 0.36
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
MGLL Q99685 1/20 0.33

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
SCHEMBL27520095 0.79 PDE2A (0.43) SLC6A4ALDH1A1LMNAGAAKMT2A
SCHEMBL6819500 0.79 DGAT1 (0.47) SLC6A4GSK3BDGAT1ALDH1A1NPC1
SCHEMBL6819503 0.79 DGAT1 (0.47) SLC6A4GSK3BDGAT1ALDH1A1NPC1
SCHEMBL27520111 0.78 TRPA1 (0.42) SLC6A4GSK3BALDH1A1LMNAGAA
SCHEMBL13603825 0.74 ALDH1A1 (0.38) SLC6A4ALDH1A1NPC1RAB9AKMT2A
SCHEMBL28113244 0.73 GSK3B (0.39) GSK3BALDH1A1NPC1LMNAGAA
SCHEMBL2548875 0.73 ALDH1A1 (0.41) SLC6A4DGAT1ALDH1A1NPC1LMNA
SCHEMBL2548878 0.73 ALDH1A1 (0.41) SLC6A4DGAT1ALDH1A1NPC1LMNA
SCHEMBL2549052 0.73 ALDH1A1 (0.41) SLC6A4DGAT1ALDH1A1NPC1LMNA
SCHEMBL27548769 0.72 GSK3B (0.49) GSK3BGAASMN1; SMN2L3MBTL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1165531-C Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups 2004-09-08 CN disclosed
CN-1367785-A Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing substituted phenylenediamine groups AMERICAN HOME PROD (US) 2002-09-04 CN disclosed
CN-1348446-A Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups AMERICAN HOME PROD (US) 2002-05-08 CN disclosed
CN-1335843-A Thiourea inhibitors of herpes viruses AMERICAN HOME PROD (US) 2002-02-13 CN disclosed
CN-1333769-A Thiourea inhibitors of herps viruses AMERICAN HOME PROD (US) 2002-01-30 CN disclosed
CN-1333750-A Acetamide and substituted acetamide-containing thiourea inhibitors of herpes viruses AMERICAN HOME PROD (US) 2002-01-30 CN disclosed
CN-1332725-A Thiourea inhibitors of herpes viruses AMERICAN HOME PROD (US) 2002-01-23 CN disclosed
CN-1329608-A Alpha-methylbenzyl-containing thioure a inhibitors of herpes viruses containing phenylenediamine group AMERICAN HOME PROD (US) 2002-01-02 CN disclosed