SCHEMBL10084366

SCHEMBL10084366

CC(=O)c1cc2cc(-c3ccccc3)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.54
ABCB1 P08183 1/20 0.50
PDGFRB P09619 4/20 0.49
PDGFRA P16234 4/20 0.49
MMP2 P08253 2/20 0.49
MMP13 P45452 2/20 0.49
MMP14 P50281 2/20 0.49
PIN1 Q13526 1/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
DAO P14920 1/20 0.49
HPGD P15428 1/20 0.49
SRD5A2 P31213 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
PTGS2 P35354 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL3700465 0.87 KDM4E (0.66) IDO1ABCB1PDGFRBPDGFRAPIN1
SCHEMBL22777743 0.87 KDM4E (0.66) IDO1ABCB1PDGFRBPDGFRAPIN1
SCHEMBL419130 0.80 MMP13 (0.77) IDO1MMP2MMP13MMP14MAPT
SCHEMBL68771 0.79 FLT3 (0.71) IDO1PDGFRBPDGFRAMAPTKDM4E
SCHEMBL6087009 0.77 KMT2A (0.78) PDGFRBPDGFRAKDM4EHPGDSRD5A2
SCHEMBL2732420 0.76 FLT3 (0.73) PDGFRBPDGFRASMAD3FLT3
SCHEMBL10242689 0.76 PIN1 (0.74) IDO1PDGFRBPDGFRAPIN1KDM4E
SCHEMBL15223730 0.76 HRH4 (0.62) PDGFRBPDGFRAMMP2MMP13PIN1
SCHEMBL20067066 0.76 MAPT (0.45) PDGFRBPDGFRAPIN1MAPTKDM4E
SCHEMBL3640332 0.75 SMAD3 (0.69) PDGFRBPDGFRAPIN1MAPTKDM4E

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-2012051708-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES, AND METHODS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2012-04-26 WO disclosed