SCHEMBL82827

SCHEMBL82827

NC(=O)C=CC=Cc1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.62
MAPT P10636 2/20 0.62
KDM4E B2RXH2 2/20 0.62
NPC1 O15118 2/20 0.62
JUN P05412 1/20 0.62
NFKB1 P19838 1/20 0.62
MAPK1 P28482 1/20 0.62
GPR55 Q9Y2T6 1/20 0.62
PFKFB3 Q16875 1/20 0.54
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.51
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
CYP1A1 P04798 8/20 0.49
CYP1A2 P05177 8/20 0.49
CYP1B1 Q16678 8/20 0.49
APAF1 O14727 1/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL83322 0.88 RAB9A (0.73) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL83267 0.88 RAB9A (0.73) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL5468278 0.85 MAPT (0.64) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL5468275 0.85 MAPT (0.64) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL30949406 0.82 MAPT (0.60) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL404592 0.78 HDAC3 (0.63) MAPTNPC1MAPK1LMNACYP1A2
SCHEMBL3092733 0.78 MAPT (0.58) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL404591 0.78 HDAC3 (0.63) MAPTNPC1MAPK1LMNACYP1A2
SCHEMBL5598850 0.77 MAPT (1.00) RAB9AMAPTKDM4ENPC1JUN
SCHEMBL5598852 0.77 MAPT (1.00) RAB9AMAPTKDM4ENPC1JUN

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
JP-4607319-B2 2011-01-05 JP claimed