SCHEMBL22072302

SCHEMBL22072302

Cc1cc2nc(C3=NCCN3C)c(=O)n(O)c2cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ MEN1 O00255 5/20 0.34
▸ KMT2A Q03164 5/20 0.34
▸ MAPT P10636 5/20 0.34
▸ USP2 O75604 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ RECQL P46063 3/20 0.33
▸ CASP1 P29466 2/20 0.33
▸ BRCA1 P38398 2/20 0.33
▸ CASP7 P55210 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HBB P68871 1/20 0.33

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
SCHEMBL22072101 0.79 KDM4E (0.56) KDM4EALDH1A1HPGDSMN1; SMN2GLA
SCHEMBL22072303 0.73 MEN1 (0.46) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL22071748 0.71 KDM4E (0.43) KDM4EALDH1A1HPGDSMN1; SMN2GLA
SCHEMBL22072309 0.71 KDM4E (0.43) KDM4EALDH1A1HPGDSMN1; SMN2GLA
SCHEMBL22072092 0.67 KDM4E (0.36) KDM4EALDH1A1HPGDSMN1; SMN2GLA
SCHEMBL22072146 0.66 ALDH1A1 (0.46) KDM4EALDH1A1HPGDSMN1; SMN2GLA
SCHEMBL22071732 0.66 KDM4E (0.38) KDM4EALDH1A1HPGDSMN1; SMN2GLA
SCHEMBL22072167 0.65 KDM4E (0.37) KDM4EALDH1A1HPGDSMN1; SMN2GLA
SCHEMBL22300771 0.63 MEN1 (0.60) KDM4EALDH1A1HPGDSMN1; SMN2GLA
SCHEMBL14399199 0.60 SMN1; SMN2 (0.58) KDM4EALDH1A1HPGDSMN1; SMN2GLA

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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