SCHEMBL15935708

SCHEMBL15935708

CCc1cc(OCc2ccccc2)ccc1-c1c(OC)c(C)nn(C)c1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PKM P14618 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TOP1 P11387 1/20 0.41
MAOB P27338 8/20 0.40
MAOA P21397 5/20 0.40
FAAH O00519 2/20 0.39
MGLL Q99685 2/20 0.39
PPARG P37231 1/20 0.38

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
SCHEMBL15935625 0.90 MEN1 (0.43) NPC1RAB9APKMSMN1; SMN2L3MBTL1
SCHEMBL15935630 0.90 NPC1 (0.45) NPC1RAB9APKMSMN1; SMN2L3MBTL1
SCHEMBL15935602 0.78 KMT2A (0.47) RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL29385131 0.78 MAOB (0.41) NPC1RAB9APKMSMN1; SMN2L3MBTL1
SCHEMBL28665391 0.76 MEN1 (0.42) NPC1RAB9APKMSMN1; SMN2L3MBTL1
SCHEMBL15935633 0.74 POLB (0.46) SMN1; SMN2
SCHEMBL28665397 0.73 ABCG2 (0.44) NPC1RAB9APKMSMN1; SMN2L3MBTL1
SCHEMBL12482158 0.72 PKM (0.40) NPC1RAB9APKMSMN1; SMN2L3MBTL1
SCHEMBL12481871 0.69 PKM (0.41) NPC1RAB9APKMSMN1; SMN2L3MBTL1
SCHEMBL15341140 0.69 TSHR (0.42) NPC1RAB9APKMSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014119770-A1 PYRIDAZINONE COMPOUND AND HERBICIDE COMPRISING SAME 住友化学株式会社 (JP) 2014-08-07 WO disclosed