SCHEMBL22072136

SCHEMBL22072136

Cc1cc2nc(-c3nccn3C)c(=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.58
▸ KMT2A Q03164 6/20 0.58
▸ KDM4E B2RXH2 6/20 0.58
▸ USP2 O75604 4/20 0.58
▸ HTT P42858 4/20 0.58
▸ CASP1 P29466 3/20 0.58
▸ CASP7 P55210 3/20 0.58
▸ HSD17B10 Q99714 3/20 0.58
▸ HAT1 O14929 3/20 0.58
▸ RBBP7 Q16576 3/20 0.58
▸ MAPT P10636 3/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ BRCA1 P38398 2/20 0.58
▸ RECQL P46063 2/20 0.58
▸ TST Q16762 2/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ HPGD P15428 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ HBB P68871 1/20 0.58

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
SCHEMBL22072071 0.84 KDM4E (0.58) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL22071738 0.84 MEN1 (0.58) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL30935958 0.80 MEN1 (0.67) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL22072076 0.79 MEN1 (0.56) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL22072060 0.79 MEN1 (0.56) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL22072056 0.79 KDM4E (0.57) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL22071717 0.79 MEN1 (0.60) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL22072101 0.78 KDM4E (0.56) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL22071707 0.78 MEN1 (0.56) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL22072073 0.78 MEN1 (0.58) MEN1KMT2AKDM4EUSP2HTT

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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