SCHEMBL24851915

SCHEMBL24851915

COc1ccc(C#N)cc1Cc1nnc(Cc2cc3ccccc3[nH]c2=O)o1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 4/20 0.48
▸ PDE10A Q9Y233 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ IL4I1 Q96RQ9 4/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ MAPK10 P53779 1/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ APLNR P35414 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 1/20 0.39

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
SCHEMBL24851921 0.78 GUSB (0.54) IDH1IL4I1KDM4E
SCHEMBL24851962 0.77 IL4I1 (0.51) PDE10ASMN1; SMN2ALDH1A1IL4I1TSHR
SCHEMBL24852507 0.75 IL4I1 (0.51) PDE10ANPSR1SMN1; SMN2ALDH1A1IL4I1
SCHEMBL24852046 0.73 KDM4E (0.46) PDE10ANPSR1TP53SMN1; SMN2ALDH1A1
SCHEMBL24852000 0.73 EGFR (0.55) SMN1; SMN2ALDH1A1IL4I1TSHRMAPT
SCHEMBL24852008 0.73 GUSB (0.51) PDE10ANPSR1ALDH1A1IL4I1KDM4E
SCHEMBL3717832 0.72 IL4I1 (0.66) IDH1NPSR1SMN1; SMN2ALDH1A1IL4I1
SCHEMBL24851917 0.72 IL4I1 (0.42) IDH1PDE10ANPSR1ALDH1A1IL4I1
SCHEMBL24852035 0.72 ALDH1A1 (0.56) IDH1PDE10ANPSR1SMN1; SMN2ALDH1A1
SCHEMBL24851920 0.71 IL4I1 (0.47) NPSR1TP53ALDH1A1IL4I1TSHR

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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