SCHEMBL24852552

SCHEMBL24852552

C[C@@H](O)[C@@H](C#N)c1ccc(Cc2cc3ccccc3[nH]c2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IL4I1 Q96RQ9 6/20 0.55
▸ KDM4E B2RXH2 9/20 0.46
▸ TSHR P16473 6/20 0.46
▸ ALDH1A1 P00352 5/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ HPGD P15428 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ CYP1A2 P05177 1/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ APAF1 O14727 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL24852550 1.00 IL4I1 (0.55) IL4I1KDM4ETSHRALDH1A1HSD17B10
SCHEMBL24852551 1.00 IL4I1 (0.55) IL4I1KDM4ETSHRALDH1A1HSD17B10
SCHEMBL24852553 1.00 IL4I1 (0.55) IL4I1KDM4ETSHRALDH1A1HSD17B10
SCHEMBL24851976 1.00 IL4I1 (0.55) IL4I1KDM4ETSHRALDH1A1HSD17B10
SCHEMBL24852525 0.82 IL4I1 (0.57) IL4I1KDM4ETSHRALDH1A1HSD17B10
SCHEMBL3717832 0.77 IL4I1 (0.66) IL4I1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL24852702 0.77 IL4I1 (0.51) IL4I1KDM4ETSHRALDH1A1HSD17B10
SCHEMBL24852522 0.75 IL4I1 (0.61) IL4I1KDM4ETSHRALDH1A1HSD17B10
SCHEMBL24851990 0.75 IL4I1 (0.52) IL4I1KDM4ETSHRALDH1A1HSD17B10
SCHEMBL24851784 0.73 IL4I1 (0.60) IL4I1KDM4ETSHRALDH1A1HSD17B10

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
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