SCHEMBL7823324

SCHEMBL7823324

COc1ccc(CNc2ncc(Cl)cc2C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.61
KDM4E B2RXH2 2/20 0.59
ASPH Q12797 2/20 0.59
KDM8 Q8N371 2/20 0.59
RIOX2 Q8IUF8 1/20 0.59
VNN1 O95497 4/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.50
HDAC6 Q9UBN7 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.46
PABPC1 P11940 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
PPARA Q07869 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL4851862 0.90 MCHR1 (0.59) MCHR1KDM4EASPHKDM8RIOX2
Hydrochloric Acid SCHEMBL7835428 0.83 KDM4E (0.52) MCHR1KDM4EASPHKDM8RIOX2
SCHEMBL7835443 0.82 MCHR1 (0.52) MCHR1KDM4EASPHKDM8RIOX2
SCHEMBL14734428 0.81 KDM4E (0.54) MCHR1KDM4EASPHKDM8RIOX2
SCHEMBL7832332 0.80 MCHR1 (0.56) MCHR1KDM4EVNN1MAPTMEN1
SCHEMBL21805201 0.80 HTT (0.54) MCHR1VNN1POLBMAPTHTT
SCHEMBL1715769 0.79 NPC1 (0.66) KDM4EASPHKDM8RIOX2MAPT
SCHEMBL24157190 0.78 KDM4E (0.65) KDM4EASPHKDM8RIOX2VNN1
SCHEMBL3730790 0.78 KDM4E (0.76) KDM4EASPHKDM8RIOX2VNN1
SCHEMBL30253210 0.78 KDM4E (0.65) KDM4EASPHKDM8RIOX2VNN1

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-0784622-B1 NAPHTHYRIDINONE DERIVATIVES KNOLL GMBH (DE) 2001-11-21 EP disclosed
US-5854257-A Naphthyridinone derivatives KNOLL AKTIENGESELLSCHAFT (DE) 1998-12-29 US disclosed