SCHEMBL17514656

SCHEMBL17514656

C#CCOc1[c]cccc1-c1ccccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.36
DPP4 P27487 1/20 0.35
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2A6 P11509 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
MAPT P10636 1/20 0.31
GSTP1 P09211 1/20 0.31
MAOA P21397 1/20 0.31
LRRK2 Q5S007 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
SCHEMBL17514945 0.87 HPGD (0.36) MAOBNPC1HPGDRAB9AMAPK1
SCHEMBL17514739 0.87 HPGD (0.36) MAOBDPP4SMN1; SMN2NPC1TP53
SCHEMBL17514876 0.86 MAOB (0.33) MAOBPOLBMAPK1HSD17B10LMNA
SCHEMBL17514594 0.85 KMO (0.34) MAOBPOLBMAPK1HSD17B10
SCHEMBL16395362 0.85 POLB (0.38) MAOBNPC1HPGDPOLBMAPK1
SCHEMBL17514811 0.85 MAOB (0.34) MAOBDPP4HPGDLMNA
SCHEMBL17514545 0.85 HSD11B1 (0.36) MAOBNPC1RAB9ALMNAMAOA
SCHEMBL17514537 0.83 MAOB (0.35) MAOBNPC1RAB9APOLBMAPK1
SCHEMBL17514688 0.82 MAOB (0.43) MAOBNPC1TP53HPGDRAB9A
SCHEMBL17514807 0.81 MAOB (0.30) MAOB

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-2016026830-A1 NOVEL FUNGICIDAL PYRAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-02-25 WO disclosed