SCHEMBL9754426

SCHEMBL9754426

O=c1[c]ccc(-c2cc3ccccc3c3ccccc23)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
GAA P10253 2/20 0.38
NISCH Q9Y2I1 1/20 0.36
HPGD P15428 3/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHEK1 O14757 1/20 0.36
KDR P35968 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35

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
SCHEMBL9534937 0.82 KDM4E (0.50) KDM4EGAAALPL
SCHEMBL9754369 0.75 NOTUM (0.48) ALDH1A1KDM4EGAANISCHHPGD
SCHEMBL9536559 0.73 GSTP1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17104407 0.69 KDR (0.56) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL9754429 0.68 KDM4E (0.58) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL9536884 0.68 KDM4E (0.46) ALDH1A1KDM4EGAAHPGDMAPK1
SCHEMBL29637136 0.67 ALDH1A1 (0.60) ALDH1A1NISCHHPGDHIF1AHSD17B10
SCHEMBL7905250 0.67 ALDH1A1 (0.60) ALDH1A1NISCHHPGDHIF1AHSD17B10
SCHEMBL20774056 0.67 ALDH1A1 (0.45) ALDH1A1NISCHHPGDHIF1AHSD17B10
SCHEMBL26053040 0.67 KDR (0.62) ALDH1A1KDM4EGAAHPGDHSD17B10

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-1991017987-A1 PHENOL AND PYRIDINOL DERIVATIVES AS PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-28 WO disclosed