SCHEMBL13998628

SCHEMBL13998628

O=C1N=C(Nc2ccccc2Cl)SC1C1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.36
ALDH1A1 P00352 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 1/20 0.34
C1R P00736 1/20 0.34
ACVRL1 P37023 1/20 0.34
TRPC3 Q13507 1/20 0.34
TRPC6 Q9Y210 1/20 0.34
EPHB3 P54753 2/20 0.34
ABL1 P00519 1/20 0.34
EPHA2 P29317 1/20 0.34
EPHA4 P54764 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34
MAPK14 Q16539 1/20 0.34
KDM4E B2RXH2 2/20 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
SCHEMBL1606206 0.90 NISCH (0.38) NISCHALDH1A1L3MBTL1HTTNPC1
SCHEMBL1605216 0.89 NPC1 (0.39) NISCHALDH1A1L3MBTL1HTTNPC1
SCHEMBL1605723 0.86 NISCH (0.36) NISCHALDH1A1L3MBTL1HTTNPC1
SCHEMBL1605191 0.82 MAPK10 (0.36) NISCHALDH1A1L3MBTL1HTTNPC1
SCHEMBL1605230 0.82 MAPK10 (0.36) NISCHALDH1A1L3MBTL1HTTNPC1
SCHEMBL1605187 0.82 MAPK10 (0.36) NISCHALDH1A1L3MBTL1HTTNPC1
SCHEMBL1604314 0.74 KMT2A (0.37) ALDH1A1L3MBTL1HTTNPC1RAB9A
SCHEMBL1604395 0.74 LMNA (0.47) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL1604762 0.74 NISCH (0.42) NISCHALDH1A1L3MBTL1HTTNPC1
SCHEMBL1604478 0.73 LMNA (0.46) ALDH1A1SMN1; SMN2MAPTHPGD

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-1753736-B1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC (US) 2008-12-17 EP disclosed