SCHEMBL22072072

SCHEMBL22072072

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.46
▸ USP2 O75604 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ CASP1 P29466 2/20 0.46
▸ BRCA1 P38398 2/20 0.46
▸ RECQL P46063 2/20 0.46
▸ CASP7 P55210 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ HAT1 O14929 2/20 0.46
▸ RBBP7 Q16576 2/20 0.46
▸ TST Q16762 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ HBB P68871 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46

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 0.90 USP2 (0.56) MEN1USP2KMT2AKDM4EMAPT
SCHEMBL22071681 0.90 USP2 (0.56) MEN1USP2KMT2AKDM4EMAPT
SCHEMBL22071674 0.89 MEN1 (0.48) MEN1USP2KMT2AKDM4EMAPT
SCHEMBL22071676 0.89 MEN1 (0.48) MEN1USP2KMT2AKDM4EMAPT
SCHEMBL22071722 0.84 KDM4E (0.45) MEN1USP2KMT2AKDM4EMAPT
SCHEMBL22071680 0.81 MEN1 (0.55) MEN1USP2KMT2AKDM4EMAPT
SCHEMBL22071669 0.81 MEN1 (0.55) MEN1USP2KMT2AKDM4EMAPT
SCHEMBL22071726 0.81 USP2 (0.45) MEN1USP2KMT2AKDM4EMAPT
SCHEMBL22071725 0.80 MEN1 (0.52) MEN1USP2KMT2AKDM4EMAPT
SCHEMBL22071679 0.78 MEN1 (0.59) MEN1USP2KMT2AKDM4EMAPT

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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