SCHEMBL14549005

SCHEMBL14549005

CCn1c2cc(O)c(C(C)=O)cc2c2cc(C(C)=O)c(O)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.53
KDM4E B2RXH2 8/20 0.42
HPGD P15428 6/20 0.42
ALDH1A1 P00352 5/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GPR35 Q9HC97 1/20 0.42
HTT P42858 4/20 0.42
NCOA3 Q9Y6Q9 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CYP3A4 P08684 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 3/20 0.38

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
Diethylamine SCHEMBL2361776 0.84 NPSR1 (0.53) KDM4EHPGDALDH1A1HSD17B10HTT
SCHEMBL12651524 0.78 KDM4E (0.44) SRCKDM4EHPGDALDH1A1TSHR
SCHEMBL2360961 0.77 CNR2 (0.42) SRCKDM4EHPGDALDH1A1TSHR
SCHEMBL12608636 0.76 ALDH1A1 (0.35) SRCKDM4EHPGDALDH1A1GPR35
SCHEMBL12608638 0.76 ALOX15 (0.35) SRCKDM4EHPGDALDH1A1HTT
SCHEMBL28922531 0.73 NPSR1 (0.56) KDM4EHPGDALDH1A1HSD17B10HTT
SCHEMBL2361775 0.73 HIF1A (0.52) KDM4EHPGDALDH1A1MEN1KMT2A
SCHEMBL12608683 0.72 CNR2 (0.44) KDM4EHPGDALDH1A1HTTMEN1
SCHEMBL12608693 0.72 CNR2 (0.39) SRCKDM4EALDH1A1TSHRHTT
SCHEMBL17297962 0.72 CNR2 (0.41) SRCKDM4EALDH1A1TSHRHTT

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
EP-2356093-B1 Carbazole compounds and therapeutic uses of the compounds INCURON LLC (RU) 2013-01-09 EP disclosed