SCHEMBL23020652

SCHEMBL23020652

CC(=O)[C@H]1CCCC[C@H]1C(=O)NCc1ccccn1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.57
▸ RECQL P46063 1/20 0.57
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ TSHR P16473 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ GAA P10253 1/20 0.49

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
SCHEMBL20879998 1.00 HPGD (0.57) HPGDRECQLMEN1KMT2AKDM4E
SCHEMBL4817684 0.87 HPGD (0.57) HPGDRECQLMEN1KMT2AKDM4E
SCHEMBL16521997 0.86 HPGD (0.55) HPGDRECQLMEN1KMT2AKDM4E
SCHEMBL26478903 0.86 HPGD (0.55) HPGDRECQLMEN1KMT2AKDM4E
SCHEMBL16521992 0.86 HPGD (0.55) HPGDRECQLMEN1KMT2AKDM4E
SCHEMBL4817697 0.84 HPGD (0.57) HPGDRECQLMEN1KMT2AKDM4E
SCHEMBL8321173 0.81 TSHR (0.70) HPGDRECQLMEN1KMT2AKDM4E
SCHEMBL10353331 0.81 TSHR (0.70) HPGDRECQLMEN1KMT2AKDM4E
SCHEMBL10353314 0.79 TSHR (0.67) HPGDRECQLMEN1KMT2AKDM4E
SCHEMBL4964666 0.79 KMT2A (0.67) HPGDRECQLMEN1KMT2AKDM4E

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
EP-3782649-A1 BIODEGRADABLE POLYETHYLENE GLYCOL BASED WATER-INSOLUBLE HYDROGELS Ascendis Pharma A/S (DK) 2021-02-24 — — EP disclosed
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