SCHEMBL18137145

SCHEMBL18137145

Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC[C@@H](O)CCO)c2cc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.64
▸ KMT2A Q03164 7/20 0.64
▸ KDM4E B2RXH2 5/20 0.64
▸ USP2 O75604 4/20 0.64
▸ HTT P42858 4/20 0.64
▸ HAT1 O14929 4/20 0.64
▸ RBBP7 Q16576 4/20 0.64
▸ RECQL P46063 3/20 0.64
▸ MAPT P10636 3/20 0.64
▸ CASP7 P55210 3/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ CASP1 P29466 2/20 0.64
▸ BRCA1 P38398 2/20 0.64
▸ HSD17B10 Q99714 2/20 0.64
▸ TDP1 Q9NUW8 2/20 0.64
▸ TST Q16762 2/20 0.64
▸ HPGD P15428 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ HBB P68871 1/20 0.64
▸ CYP1A2 P05177 1/20 0.64

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
SCHEMBL19489384 1.00 MEN1 (0.64) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL11304043 0.87 MEN1 (0.73) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL22803355 0.87 MEN1 (0.74) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL19372586 0.87 MEN1 (0.74) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL10252106 0.87 MEN1 (0.58) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL10251439 0.87 MEN1 (0.61) MEN1KMT2AKDM4EUSP2HTT
Potassium Ion SCHEMBL864332 0.85 MEN1 (0.59) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL18973893 0.84 MEN1 (0.61) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL864974 0.84 MEN1 (0.69) MEN1KMT2AKDM4EUSP2HTT
SCHEMBL864291 0.83 MEN1 (0.67) 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
US-20160298030-A1 METALLIC AND SEMICONDUCTOR NANOTUBES, NANOCOMPOSITE OF SAME, PURIFICATION OF SAME, AND USE OF SAME PAPADIMITRAKOPOULOS FOTIOS (US) 2016-10-13 — — US disclosed
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