SCHEMBL6565258

SCHEMBL6565258

COC(=O)Oc1nc2ccccc2cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.51
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 3/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
CNR2 P34972 1/20 0.43
ALOX15 P16050 1/20 0.43
NQO2 P16083 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NOD2 Q9HC29 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
BTK Q06187 1/20 0.41
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CASP3 P42574 1/20 0.40

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
SCHEMBL6567448 0.86 TLR8 (0.53) TLR8RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL8968152 0.81 TLR8 (0.48) TLR8RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL180365 0.80 TLR8 (0.65) TLR8RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL8785457 0.80 KDM4C (0.45) TLR8RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL8784892 0.80 TLR8 (0.43) TLR8RAB9ASMN1; SMN2MAPTNPC1
Hydrochloric Acid SCHEMBL27511729 0.79 TLR8 (0.62) TLR8RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL11167917 0.77 TLR8 (0.49) TLR8RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL9335770 0.77 ALDH1A1 (0.46) TLR8SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL8627406 0.75 TLR8 (0.54) TLR8RAB9ASMN1; SMN2MAPTNPC1
SCHEMBL8127607 0.74 ALDH1A1 (0.43) TLR8RAB9ASMN1; SMN2MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765871-B1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors FIBROGEN INC (US) 2004-03-31 EP disclosed
EP-0765871-A1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-02 EP disclosed