SCHEMBL3435784

SCHEMBL3435784

NCC(=O)OC(=O)c1c(O)ccc2cccnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.44
EGLN1 Q9GZT9 4/20 0.41
MMP2 P08253 2/20 0.41
TSHR P16473 2/20 0.41
METAP2 P50579 2/20 0.41
METAP1 P53582 2/20 0.41
CHRM1 P11229 1/20 0.41
COMT P21964 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 5/20 0.40
ALOX12 P18054 2/20 0.40
HCRTR2 O43614 1/20 0.40
PARP1 P09874 1/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 2/20 0.40
HTT P42858 2/20 0.40
GMNN O75496 1/20 0.40

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
SCHEMBL25235346 0.78 CA12 (0.57) ERN1EGLN1MMP2TSHRMETAP2
SCHEMBL31022701 0.78 CA12 (0.57) ERN1EGLN1MMP2TSHRMETAP2
SCHEMBL9191925 0.75 ALDH1A1 (0.47) ERN1EGLN1MMP2TSHRMETAP2
SCHEMBL16040593 0.75 ALDH1A1 (0.60) ERN1EGLN1MMP2TSHRMETAP2
SCHEMBL31057838 0.75 ALDH1A1 (0.60) ERN1EGLN1MMP2TSHRMETAP2
SCHEMBL31022679 0.73 ERN1 (0.54) ERN1EGLN1MMP2TSHRMETAP2
SCHEMBL3663307 0.72 ABL1 (0.43) ALDH1A1PARP1MAPTNFKB1SMN1; SMN2
SCHEMBL6983292 0.70 LMNA (0.63) METAP2METAP1ALDH1A1KDM4EPARP1
SCHEMBL3394717 0.69 EGLN1 (0.69) ERN1EGLN1ALDH1A1MAPTSLC40A1
SCHEMBL6078786 0.67 CES2 (0.50) ALDH1A1KDM4ELMNAMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2224926-A1 PROLYL HYDROXYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-09-08 EP disclosed
WO-2009070644-A1 PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed