SCHEMBL22670153

SCHEMBL22670153

CC1=NN(c2ccc(OC3CCCCC3)cc2)C(=O)C1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.41
▸ HRH3 Q9Y5N1 7/20 0.39
▸ EGFR P00533 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ THRB P10828 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ GRM2 Q14416 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ PSMD14 O00487 1/20 0.37
▸ NSD2 O96028 1/20 0.37
▸ DNMT1 P26358 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL5928818 0.80 MEN1 (0.50) MAPTMEN1KMT2AKDM4ETHRB
SCHEMBL28703458 0.80 HTT (0.47) HRH3EGFRMAPTMEN1KMT2A
SCHEMBL28700508 0.78 HTT (0.48) HRH3EGFRMAPTMEN1KMT2A
SCHEMBL22678453 0.77 MAPT (0.41) HPGDMAPTMEN1KMT2AKDM4E
SCHEMBL22670353 0.76 ACSS2 (0.48) HPGDMAPTMEN1KMT2AKDM4E
SCHEMBL29996539 0.73 MAPT (0.52) MAPTMEN1KMT2AKDM4EL3MBTL1
SCHEMBL29996730 0.71 MAPT (0.53) HPGDMAPTMEN1KMT2AKDM4E
SCHEMBL22670032 0.71 POLB (0.49) HPGDMAPTMEN1KMT2AKDM4E
SCHEMBL5928770 0.70 MAPT (0.67) MAPTMEN1KMT2AKDM4ETHRB
SCHEMBL257928 0.68 EGFR (0.48) HPGDHRH3EGFRMEN1KMT2A

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-2020230136-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 — — WO disclosed
Send feedback