SCHEMBL22072309

SCHEMBL22072309

Cc1cc2nc(-c3nncn3C)c(=O)n(O)c2cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ GLA P06280 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPT P10636 6/20 0.35
▸ MEN1 O00255 5/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ USP2 O75604 4/20 0.35
▸ HTT P42858 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ RECQL P46063 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ CASP1 P29466 2/20 0.34
▸ BRCA1 P38398 2/20 0.34
▸ CASP7 P55210 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ ALOX15 P16050 2/20 0.34

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
SCHEMBL22071748 0.81 KDM4E (0.43) KDM4EALDH1A1HPGDGLASMN1; SMN2
SCHEMBL22072071 0.78 KDM4E (0.58) KDM4EALDH1A1HPGDGLASMN1; SMN2
SCHEMBL22072307 0.72 MEN1 (0.47) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL22072302 0.71 KDM4E (0.41) KDM4EALDH1A1HPGDGLASMN1; SMN2
SCHEMBL22072092 0.71 KDM4E (0.36) KDM4EALDH1A1HPGDGLASMN1; SMN2
SCHEMBL22072167 0.69 KDM4E (0.37) KDM4EALDH1A1HPGDGLASMN1; SMN2
SCHEMBL22072146 0.68 ALDH1A1 (0.46) KDM4EALDH1A1HPGDGLASMN1; SMN2
SCHEMBL22071732 0.68 KDM4E (0.38) KDM4EALDH1A1HPGDGLASMN1; SMN2
SCHEMBL14399199 0.65 SMN1; SMN2 (0.58) KDM4EALDH1A1HPGDGLASMN1; SMN2
SCHEMBL22300771 0.65 MEN1 (0.60) KDM4EALDH1A1HPGDGLASMN1; SMN2

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-2020117974-A1 COMPOUNDS AND COMPOSITIONS FOR EYE TREATMENTS AVEDRO, INC. (US) 2020-06-11 — — WO disclosed
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