SCHEMBL6555243

SCHEMBL6555243

N=C(Nc1ccccc1)C1=CC=CCC1=S

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R38 P59533 3/20 0.38
POLB P06746 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 4/20 0.35
GAA P10253 4/20 0.35
LMNA P02545 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HPGD P15428 1/20 0.35
TOP2A P11388 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MEN1 O00255 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NOX1 Q9Y5S8 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL17844294 0.83 TAS2R38 (0.43) TAS2R38HSD17B10ALDH1A1CYP3A4KMT2A
SCHEMBL8309546 0.76 FYN (0.47) NPC1RAB9A
SCHEMBL8305510 0.76 CA12 (0.34)
SCHEMBL8308422 0.73 ACHE (0.36)
SCHEMBL7516507 0.72 PNMT (0.42)
SCHEMBL8307723 0.72 DRD2 (0.32) RAB9A
SCHEMBL8309882 0.72 DRD2 (0.46)
SCHEMBL5077456 0.72 ALDH1A1 (0.53) TAS2R38HSD17B10ALDH1A1CYP3A4KMT2A
SCHEMBL7513395 0.71 MAOA (0.39) HSD17B10ALDH1A1MAOATSHR
SCHEMBL7510864 0.71

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
EP-1233786-B1 PRODUCT COMPRISING AT LEAST A NO SYNTHASE INHIBITING SUBSTANCE ASSOCIATED WITH AT LEAST A PHOSPHOLIPASE A2 INHIBITING SUBSTANCE FOR THE PREPARATION OF A MEDICAMENT CONSEILS DE RECH SET D APPLIC (FR) 2004-02-18 EP claimed