SCHEMBL24851981

SCHEMBL24851981

NCc1ncc(Cc2cc3ccccc3[nH]c2=O)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IL4I1 Q96RQ9 6/20 0.51
▸ PDE10A Q9Y233 1/20 0.47
▸ KDM4E B2RXH2 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ IDH1 O75874 1/20 0.40
▸ TSHR P16473 2/20 0.40
▸ HSD17B10 Q99714 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.38

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
SCHEMBL30162723 1.00 IL4I1 (0.51) IL4I1PDE10AKDM4EALDH1A1HPGD
SCHEMBL24851978 0.83 KDM4E (0.46) IL4I1PDE10AKDM4EALDH1A1HPGD
SCHEMBL30162577 0.82 IL4I1 (0.51) IL4I1PDE10AKDM4EALDH1A1HPGD
SCHEMBL24851742 0.82 KDM4E (0.46) IL4I1PDE10AKDM4EALDH1A1HPGD
SCHEMBL30162767 0.82 KDM4E (0.46) IL4I1PDE10AKDM4EALDH1A1HPGD
SCHEMBL24852688 0.82 IL4I1 (0.51) IL4I1PDE10AKDM4EALDH1A1HPGD
SCHEMBL24852147 0.75 IL4I1 (0.56) IL4I1KDM4EALDH1A1HPGDTSHR
SCHEMBL24852069 0.75 IL4I1 (0.52) IL4I1PDE10AKDM4EALDH1A1HPGD
SCHEMBL24852514 0.74 IL4I1 (0.57) IL4I1KDM4EALDH1A1HPGDTSHR
SCHEMBL30162565 0.74 IL4I1 (0.57) IL4I1KDM4EALDH1A1HPGDTSHR

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