SCHEMBL5537992

SCHEMBL5537992

COc1ccccc1C(=O)NC1=NCC2=CN(C(=O)c3ccc(Oc4ccccc4)nc3)CCC2=N1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.41
RAB9A P51151 4/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
PKM P14618 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
GALR3 O60755 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
HPGDS O60760 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR2C P28335 1/20 0.35
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35

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
SCHEMBL5544987 0.84 PRKAA2 (0.42) HRH3HPGDS
SCHEMBL3531336 0.70 PDGFRB (0.55) HRH3MAPT
SCHEMBL5545010 0.70 MAPT (0.44) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL5545015 0.68 GPR6 (0.40) RAB9AMEN1KMT2APKMALDH1A1
SCHEMBL5546600 0.67 KMT2A (0.40) RAB9AMEN1KMT2APKMALDH1A1
SCHEMBL5545032 0.64 PTGES (0.39)
SCHEMBL5537975 0.64 RXFP1 (0.39)
SCHEMBL5538007 0.62 PTGES (0.39)
SCHEMBL8143964 0.62 PKM (0.65) RAB9AMEN1KMT2APKMALDH1A1
SCHEMBL3586183 0.61 LMNA (0.60) HRH3RAB9AKMT2AALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007534719-A 2007-11-29 JP claimed
EP-1742925-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2007-01-17 EP claimed
WO-2005105759-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2005-11-10 WO claimed