SCHEMBL13745012

SCHEMBL13745012

Cc1ccc(-c2cccc(F)c2)nn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.52
MAOB P27338 1/20 0.46
IDO1 P14902 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
PIM1 P11309 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGDS O60760 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAP4K4 O95819 2/20 0.42
NOTUM Q6P988 1/20 0.42
ACHE P22303 1/20 0.42
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL13745274 0.82 MET (0.52) METMAOBMEN1KMT2AADORA2A
SCHEMBL24359756 0.81 RAB9A (0.49) IDO1MEN1KMT2AMAPTKDM4E
SCHEMBL29817949 0.78 KDM4E (0.53) MAOBIDO1MEN1KMT2AMAPT
SCHEMBL2615353 0.78 MAOB (0.46) MAOBIDO1MAPTNPC1RAB9A
SCHEMBL29431721 0.78 HSD17B1 (0.53) MAP4K4ACHE
SCHEMBL14018487 0.78 KDM4E (0.53) MAOBIDO1MEN1KMT2AMAPT
SCHEMBL11630165 0.78 MAOB (0.46) MAOBIDO1MEN1KMT2AMAPT
SCHEMBL2615360 0.77 KDM4E (0.56) MAOBIDO1KDM4ENPC1RAB9A
SCHEMBL13729206 0.77 MAOB (0.47) MAOBIDO1MEN1KMT2AMAPT
SCHEMBL10165319 0.76 RAB9A (0.52) METMAOBMEN1KMT2AMAPT

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-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 WO disclosed