SCHEMBL15535476

SCHEMBL15535476

NC(C(=O)O)C(=O)c1c(O)n(Cc2ccc(C(F)(F)F)cc2)c(=O)n(Cc2ccccc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.44
EGLN3 Q9H6Z9 4/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC11 Q96DB2 2/20 0.41
EGLN1 Q9GZT9 4/20 0.41
EGLN2 Q96KS0 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CFTR P13569 1/20 0.40
GNRHR P30968 2/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 1/20 0.39
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL15535650 0.83 RAB9A (0.46) EGLN3HDAC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL15535827 0.80 SMN1; SMN2 (0.45) EGLN3SMN1; SMN2KDM4EALDH1A1RAB9A
SCHEMBL3420498 0.79 EGLN3 (0.66) EGLN3HDAC1HDAC8HDAC6HDAC11
SCHEMBL15536589 0.74 NPSR1 (0.41) EGLN3EGLN1EGLN2SMN1; SMN2ALDH1A1
SCHEMBL15536009 0.71 EGLN3 (0.37) EGLN3EGLN1EGLN2SMN1; SMN2KDM4E
SCHEMBL9977540 0.68 P2RX3 (0.56) P2RX3HDAC1HDAC8HDAC6HDAC11
SCHEMBL1946028 0.67 MEN1 (0.57) SMN1; SMN2KDM4EALDH1A1CFTRRAB9A
SCHEMBL15536738 0.66 OGFOD1 (0.38) P2RX3EGLN3EGLN1EGLN2SMN1; SMN2
Dl-Phenylalanine SCHEMBL28313877 0.66 SLC7A5 (0.71) KDM4EPKMHIF1A
SCHEMBL1948009 0.65 ADORA3 (0.52) P2RX3SMN1; SMN2CFTRMEN1KMT2A

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-2013177478-A2 TREATMENT METHOD GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-11-28 WO disclosed