SCHEMBL5860460

SCHEMBL5860460

O=C(Cn1c(=O)cc[nH]c1=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
KDM4E B2RXH2 2/20 0.49
DAO P14920 1/20 0.48
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
HRH1 P35367 1/20 0.43
GPR35 Q9HC97 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL28103828 0.84 ALDH1A1 (0.46) LMNAKDM4ETDP1ALDH1A1CYP2C19
Hydrogen Sulfide SCHEMBL28104139 0.83 ALDH1A1 (0.45) LMNAKDM4ETDP1ALDH1A1CYP2C19
SCHEMBL2899641 0.81 APEX1 (0.48) KDM4EALDH1A1MEN1HPGDMAPK1
SCHEMBL5796882 0.75 KDM4E (0.41) LMNAKDM4ETDP1ALDH1A1MAPT
SCHEMBL6280753 0.75 ALDH1A1 (0.47) LMNATDP1ALDH1A1CYP1A2CYP2C9
SCHEMBL294649 0.74 PARP1 (0.36) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL5272693 0.74 ALDH1A1 (0.53) LMNAKDM4EGSK3AGSK3BALDH1A1
SCHEMBL21463358 0.73 LMNA (0.71) LMNAKDM4EDAORAB9ANPC1
SCHEMBL14491 0.73 TYMP (0.49) DAORAB9ANPC1GSK3AGSK3B
SCHEMBL667246 0.72 KDM4E (0.54) KDM4ENPC1ALDH1A1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045509-B2 Proteins and nucleic acids encoding same CURAGEN CORPORATION (US) 2006-05-16 US disclosed
US-20040005576-A1 Proteins and nucleic acids encoding same CURAGEN CORPORATION 2004-01-08 US disclosed
EP-1366162-A2 PUTATIVE PROTEINS AND NUCLEIC ACIDS ENCODING SAME Curagen Corporation (US) 2003-12-03 EP disclosed
WO-2002046409-A2 PROTEINS AND NUCLEIC ACIDS ENCODING SAME CURAGEN CORPORATION (US) 2002-06-13 WO disclosed