SCHEMBL24851978

SCHEMBL24851978

CSNCc1ncc(Cc2cc3ccccc3[nH]c2=O)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ HPGD P15428 2/20 0.46
▸ IL4I1 Q96RQ9 6/20 0.46
▸ PDE10A Q9Y233 2/20 0.45
▸ IDH1 O75874 3/20 0.41
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ HSD17B10 Q99714 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ TSHR P16473 2/20 0.36

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
SCHEMBL24851742 0.85 KDM4E (0.46) KDM4EALDH1A1HPGDIL4I1PDE10A
SCHEMBL30162767 0.85 KDM4E (0.46) KDM4EALDH1A1HPGDIL4I1PDE10A
SCHEMBL30162577 0.85 IL4I1 (0.51) KDM4EALDH1A1HPGDIL4I1PDE10A
SCHEMBL24852688 0.85 IL4I1 (0.51) KDM4EALDH1A1HPGDIL4I1PDE10A
SCHEMBL24851981 0.83 IL4I1 (0.51) KDM4EALDH1A1HPGDIL4I1PDE10A
SCHEMBL30162723 0.83 IL4I1 (0.51) KDM4EALDH1A1HPGDIL4I1PDE10A
SCHEMBL24851966 0.75 IL4I1 (0.51) KDM4EALDH1A1HPGDIL4I1IDH1
SCHEMBL24851723 0.73 IL4I1 (0.51) KDM4EALDH1A1HPGDIL4I1PDE10A
SCHEMBL24852514 0.69 IL4I1 (0.57) KDM4EALDH1A1HPGDIL4I1HSD17B10
SCHEMBL30162565 0.69 IL4I1 (0.57) KDM4EALDH1A1HPGDIL4I1HSD17B10

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