SCHEMBL22072092

SCHEMBL22072092

Cc1cc2nc(-c3nnnn3CCN(C)C)c(=O)n(O)c2cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ UBE2M P61081 8/20 0.35
▸ DCUN1D1 Q96GG9 8/20 0.35
▸ MEN1 O00255 3/20 0.33
▸ USP2 O75604 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ CASP1 P29466 2/20 0.32
▸ BRCA1 P38398 2/20 0.32
▸ RECQL P46063 2/20 0.32
▸ CASP7 P55210 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32

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
SCHEMBL22072075 0.82 MEN1 (0.52) KDM4EALDH1A1HPGDGLASMN1; SMN2
SCHEMBL22071748 0.81 KDM4E (0.43) KDM4EALDH1A1HPGDGLASMN1; SMN2
SCHEMBL22072309 0.71 KDM4E (0.43) KDM4EALDH1A1HPGDGLASMN1; SMN2
SCHEMBL22072060 0.70 MEN1 (0.56) KDM4EALDH1A1HPGDGLASMN1; SMN2
SCHEMBL15909979 0.69 KDM4E (0.43) KDM4EALDH1A1HPGDGLASMN1; SMN2
SCHEMBL19415772 0.68 KDM4E (0.43) KDM4EALDH1A1HPGDGLASMN1; SMN2
SCHEMBL22072302 0.67 KDM4E (0.41) KDM4EALDH1A1HPGDGLASMN1; SMN2
SCHEMBL22072087 0.67 POLB (0.43) KDM4EALDH1A1HPGDGLASMN1; SMN2
SCHEMBL22072067 0.66 MEN1 (0.56) KDM4EALDH1A1HPGDGLASMN1; SMN2
SCHEMBL15909985 0.65 KDM4E (0.40) 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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