SCHEMBL24852069

SCHEMBL24852069

O=C1OCCN1c1ncc(Cc2cc3ccccc3[nH]c2=O)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IL4I1 Q96RQ9 6/20 0.52
▸ IDH1 O75874 11/20 0.46
▸ PDE10A Q9Y233 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 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
SCHEMBL31192189 0.84 IDH1 (0.52) IL4I1IDH1PDE10AKDM4EALDH1A1
SCHEMBL24851987 0.84 IDH1 (0.52) IL4I1IDH1PDE10AKDM4EALDH1A1
SCHEMBL30162723 0.75 IL4I1 (0.51) IL4I1IDH1PDE10AKDM4EALDH1A1
SCHEMBL24851981 0.75 IL4I1 (0.51) IL4I1IDH1PDE10AKDM4EALDH1A1
SCHEMBL29950401 0.71 IDH1 (0.51) IDH1
SCHEMBL24851779 0.71 IDH1 (0.44) IL4I1IDH1
SCHEMBL24851978 0.70 KDM4E (0.46) IL4I1IDH1PDE10AKDM4EALDH1A1
SCHEMBL30162617 0.69 IL4I1 (0.66) IL4I1IDH1PDE10AKDM4EALDH1A1
SCHEMBL24851732 0.69 IL4I1 (0.66) IL4I1IDH1PDE10AKDM4EALDH1A1
SCHEMBL24851742 0.69 KDM4E (0.46) IL4I1IDH1PDE10AKDM4EALDH1A1

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-2023278222-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-01-05 — — WO disclosed
Send feedback