SCHEMBL5613992

SCHEMBL5613992

N#CCC1C=CN=C(OCc2ccc(CNCc3ccccc3)cc2)N1c1nc2ccccc2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
BCHE P06276 1/20 0.34
MGLL Q99685 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CSNK1D P48730 1/20 0.32
MAPK1 P28482 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31

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
SCHEMBL4190547 0.94 MAPK9 (0.39) PTGS1PTGS2MAPK9MAPK10MEN1
Acetonitrile SCHEMBL7707450 0.91 MAPK9 (0.38) PTGS1PTGS2MAPK9MAPK10MEN1
SCHEMBL4197321 0.88 RAB9A (0.49) PTGS1PTGS2MAPK9MAPK10MEN1
SCHEMBL4203404 0.87 PTGS1 (0.36) PTGS1PTGS2MAPK9MAPK10MEN1
SCHEMBL7707443 0.87 RAB9A (0.44) PTGS1PTGS2MAPK9MAPK10MEN1
SCHEMBL7707665 0.86 NAAA (0.39) PTGS1PTGS2MAPK9MAPK10MEN1
SCHEMBL4197270 0.85 PTGS1 (0.36) PTGS1PTGS2MAPK9MAPK10MEN1
SCHEMBL4197491 0.85 CYP2D6 (0.38) PTGS1PTGS2MAPK9MAPK10MEN1
SCHEMBL4192595 0.85 MAPK9 (0.36) PTGS1PTGS2MAPK9MAPK10MEN1
SCHEMBL7710188 0.85 LMNA (0.40) MAPK9MAPK10MEN1KMT2ARAB9A

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-1812072-A2 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF Ares Trading S.A. (CH) 2007-08-01 EP disclosed
WO-2006053882-A2 BENZOTHIAZOLE FORMULATIONS AND USE THEREOF ARES TRADING S.A. (CH) 2006-05-26 WO disclosed