SCHEMBL21218921

SCHEMBL21218921

N#CCc1ccc2c(c1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.40
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MMP3 P08254 1/20 0.38
FFAR1 O14842 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 2/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.33
CHEK1 O14757 1/20 0.32
PKM P14618 1/20 0.32
FLT3 P36888 2/20 0.31
PTPRC P08575 1/20 0.31

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
SCHEMBL11680913 0.83 TSHR (0.53) KDM4EL3MBTL1TSHRALDH1A1ATM
SCHEMBL4521078 0.81 ENPP2 (0.39) ENPP2KDM4ETDP1MMP3TSHR
SCHEMBL1466419 0.79 RXRB (0.40) ENPP2KDM4ETDP1MMP3TSHR
SCHEMBL3452505 0.79 NPC1 (0.46) ENPP2KDM4ETDP1MMP3TSHR
SCHEMBL29790934 0.78 ENPP2 (0.37) ENPP2KDM4ETDP1MMP3FFAR1
SCHEMBL27582186 0.78 ENPP2 (0.37) ENPP2KDM4ETDP1MMP3FFAR1
SCHEMBL2154504 0.72 KMT2A (0.47) ENPP2KDM4ETDP1MMP3L3MBTL1
SCHEMBL28840767 0.72 PRMT5 (0.38) ENPP2KDM4ETDP1MMP3TSHR
SCHEMBL11528945 0.72 TBXA2R (0.36) ENPP2KDM4ETDP1MMP3L3MBTL1
SCHEMBL17656375 0.72 ESR2 (0.37) ENPP2KDM4ETDP1MMP3L3MBTL1

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
WO-2019145726-A1 COMPOUNDS Enterprise Therapeutics Limited (GB) 2019-08-01 WO disclosed