SCHEMBL31600842

SCHEMBL31600842

CC(C)(C)OC(=O)NCCc1c(I)cc(F)nc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 1/20 0.42
▸ HTT P42858 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ GFER P55789 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ BCHE P06276 1/20 0.37
▸ STK17B O94768 1/20 0.37
▸ STK17A Q9UEE5 1/20 0.37
▸ HPGD P15428 3/20 0.37
▸ GAA P10253 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ GLA P06280 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CKS1B P61024 1/20 0.36
▸ SKP1 P63208 1/20 0.36
▸ SKP2 Q13309 1/20 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
SCHEMBL31600169 0.88 NQO2 (0.41) NQO2HTTNPSR1ALDH1A1GFER
SCHEMBL580604 0.80 CKS1B (0.41) NQO2HTTNPSR1ALDH1A1GFER
SCHEMBL31600954 0.79 STK17B (0.46) NQO2HTTNPSR1ALDH1A1GFER
SCHEMBL3634893 0.78 NQO2 (0.47) NQO2HTTNPSR1ALDH1A1GFER
SCHEMBL4666845 0.77 HTT (0.46) NQO2HTTNPSR1ALDH1A1GFER
SCHEMBL31600640 0.76 LMNA (0.41) NQO2HTTNPSR1ALDH1A1GFER
SCHEMBL23309581 0.73 CSNK1D (0.43) NQO2ALDH1A1TDP1BCHESTK17B
SCHEMBL594254 0.72 SCN9A (0.48) TDP1STK17BSTK17ACKS1BSKP1
SCHEMBL4453472 0.72 NQO2 (0.48) NQO2HTTNPSR1ALDH1A1GFER
SCHEMBL8293454 0.72 NQO2 (0.51) NQO2HTTNPSR1ALDH1A1GFER

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-2025111547-A1 2,3-DIHYDROPYROLLOPYRIDINE CARBOXAMIDE COMPOUNDS AND METHODS OF USE THEREOF RGENTA THERAPEUTICS, INC. (US) 2025-05-30 — — WO disclosed
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