SCHEMBL22071722

SCHEMBL22071722

COC(=O)c1nc2cc(C)c(C)cc2n(C[C@H](O)[C@H](O)[C@H](O)CN(C)C)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.45
▸ USP2 O75604 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MAPT P10636 4/20 0.45
▸ HSD17B10 Q99714 3/20 0.45
▸ CASP1 P29466 2/20 0.45
▸ BRCA1 P38398 2/20 0.45
▸ RECQL P46063 2/20 0.45
▸ CASP7 P55210 2/20 0.45
▸ TST Q16762 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ HAT1 O14929 2/20 0.45
▸ RBBP7 Q16576 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 2/20 0.45

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
SCHEMBL22071673 0.89 USP2 (0.56) KDM4EUSP2MEN1KMT2AMAPT
SCHEMBL22071681 0.89 USP2 (0.56) KDM4EUSP2MEN1KMT2AMAPT
SCHEMBL22071726 0.88 USP2 (0.45) KDM4EUSP2MEN1KMT2AMAPT
SCHEMBL22071721 0.88 KDM4E (0.47) KDM4EUSP2MEN1KMT2AMAPT
SCHEMBL22071700 0.88 ESR1 (0.44) KDM4EUSP2MEN1KMT2AMAPT
SCHEMBL22071701 0.84 USP2 (0.44) KDM4EUSP2MEN1KMT2AMAPT
SCHEMBL22072072 0.84 MEN1 (0.46) KDM4EUSP2MEN1KMT2AMAPT
SCHEMBL22071697 0.84 MEN1 (0.42) KDM4EUSP2MEN1KMT2AMAPT
SCHEMBL22071725 0.81 MEN1 (0.52) KDM4EUSP2MEN1KMT2AMAPT
SCHEMBL22071680 0.80 MEN1 (0.55) KDM4EUSP2MEN1KMT2AMAPT

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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