SCHEMBL25404240

SCHEMBL25404240

CC1(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PARG Q86W56 14/20 0.50
▸ CYP3A4 P08684 1/20 0.49
▸ USP2 O75604 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ LMNA P02545 1/20 0.45

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
SCHEMBL25404892 0.89 PARG (0.50) PARGUSP2HTTSMN1; SMN2
SCHEMBL26688687 0.88 ALDH1A1 (0.53) PARGUSP2HTTSMN1; SMN2ALDH1A1
SCHEMBL17825308 0.83 PARG (0.52) PARGHSD17B10
SCHEMBL17465680 0.81 TP53 (0.50) USP2ALDH1A1LMNA
SCHEMBL15848086 0.81 MAPT (0.61) HTTSMN1; SMN2LMNA
SCHEMBL25406371 0.81 PARG (0.42) PARGUSP2HTTSMN1; SMN2
SCHEMBL29602365 0.79 CYP3A4 (0.52) CYP3A4SMN1; SMN2ALDH1A1HSD17B10LMNA
SCHEMBL13543494 0.79 CYP3A4 (0.52) CYP3A4SMN1; SMN2ALDH1A1HSD17B10LMNA
SCHEMBL31736102 0.78 USP2 (0.43) PARGUSP2HTTSMN1; SMN2LMNA
SCHEMBL15847752 0.77 MAPT (0.62) HTTSMN1; SMN2LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023175185-A1 2,4-DIOXO-1,4-DIHYDROQUINAZOLINE DERIVATIVES AS PARG INHIBITORS FOR THE TREATMENT OF CANCER FORX THERAPEUTICS AG (CH) 2023-09-21 — — WO disclosed
WO-2023175185-A1 2,4-DIOXO-1,4-DIHYDROQUINAZOLINE DERIVATIVES AS PARG INHIBITORS FOR THE TREATMENT OF CANCER FORX THERAPEUTICS AG (CH) 2023-09-21 — — WO disclosed
WO-2023175184-A1 2,4-DIOXO-1,4-DIHYDROQUINAZOLINE DERIVATIVES AS PARG INHIBITORS FOR THE TREATMENT OF CANCER FORX THERAPEUTICS AG (CH) 2023-09-21 — — WO disclosed
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