SCHEMBL22175937

SCHEMBL22175937

CNCCCS(=O)(=O)Nc1cn(C)nc1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ SMYD3 Q9H7B4 1/20 0.31
▸ PTGES O14684 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ ADCY10 Q96PN6 1/20 0.30
▸ PDE10A Q9Y233 1/20 0.30

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
SCHEMBL22175912 0.72 HPGD (0.53) L3MBTL1KMT2AKDM4EHPGDALDH1A1
Hydrochloric Acid SCHEMBL22164322 0.72 HPGD (0.52) L3MBTL1KMT2AKDM4EHPGDALDH1A1
SCHEMBL22749175 0.71 CNR2 (0.47) CNR2L3MBTL1KMT2AKDM4EGLA
SCHEMBL21960946 0.71 CNR2 (0.55) CNR2L3MBTL1KMT2AKDM4EGLA
SCHEMBL22749221 0.70 CNR2 (0.46) CNR2L3MBTL1KMT2AKDM4EGLA
SCHEMBL25796607 0.70 CNR2 (0.53) CNR2L3MBTL1KMT2AKDM4EGLA
SCHEMBL22749219 0.69 CNR2 (0.45) CNR2L3MBTL1KMT2AKDM4EGLA
SCHEMBL22175884 0.69 ALDH1A1 (0.43) L3MBTL1KDM4EHPGDALDH1A1MAPT
SCHEMBL19893122 0.69 CNR2 (0.47) CNR2L3MBTL1KMT2AKDM4EGLA
SCHEMBL22164260 0.68 METAP2 (0.45) KDM4EGAAHPGDALDH1A1MAPT

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-2020138015-A1 PYRAZOLO[1,5-A]PYRIMIDINE MACROCYCLIC COMPOUND 大正製薬株式会社 2020-07-02 — — WO disclosed
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