SCHEMBL13425858

SCHEMBL13425858

COc1ccc(Cn2nc(-c3ccc(C)cc3)cc2CBr)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
MAPT P10636 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
TP53 P04637 3/20 0.44

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
SCHEMBL13425461 0.89 MEN1 (0.53) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4681912 0.85 NPBWR1 (0.48) NPC1RAB9AMAPTSMN1; SMN2HDAC3
SCHEMBL14290243 0.85 GCGR (0.49) MAPTSMN1; SMN2HDAC1
SCHEMBL22613601 0.81 MAPT (0.44) MEN1KMT2AMAPTSMN1; SMN2HDAC1
SCHEMBL20600076 0.79 MAPK14 (0.46) MAPTSMN1; SMN2KDM4ECYP1A2CYP3A4
SCHEMBL13425922 0.78 MAPT (0.69) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL22613626 0.78 PTGDR (0.48) MEN1KMT2AMAPTSMN1; SMN2MCHR1
SCHEMBL20600263 0.78 NPC1 (0.46) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL13426461 0.77 HPGD (0.56) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL14445949 0.75 GCGR (0.51) MAPTSMN1; SMN2HDAC1LMNACYP3A4

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-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed