SCHEMBL7254331

SCHEMBL7254331

NC(=S)C1CN(C(=O)O)CCN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL7254080 0.85 AGTR2 (0.35) AGTR2
SCHEMBL919018 0.80 AGTR2 (0.47) AGTR2
SCHEMBL6653686 0.80 AGTR2 (0.47) AGTR2
SCHEMBL8402776 0.80 AGTR2 (0.47) AGTR2
SCHEMBL23458144 0.80 HSD17B10 (0.43) LMNAMAPTL3MBTL1ALDH1A1MAPK1
SCHEMBL2226550 0.80 KMT2A (0.33) LMNAMAPTALDH1A1MAPK1
SCHEMBL1833567 0.78 MMP2 (0.41) ALDH1A1
SCHEMBL21045619 0.77 POLB (0.35) AGTR2LMNAMAPTL3MBTL1
SCHEMBL18952875 0.77 POLB (0.35) AGTR2LMNAMAPTL3MBTL1
SCHEMBL26694944 0.77 POLB (0.35) AGTR2LMNAMAPTL3MBTL1

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
EP-4069692-A1 N-(3-(5-(PYRIMIDIN-4-YL)THIAZOL-4-YL)PHENYL)SULFONAMIDE COMPOUNDS AND THEIR USES AS BRAF INHIBITORS Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2022-10-12 EP disclosed
WO-2021110997-A1 N-(3-(5-(PYRIMIDIN-4-YL)THIAZOL-4-YL)PHENYL)SULFONAMIDE COMPOUNDS AND THEIR USES AS BRAF INHIBITORS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2021-06-10 WO disclosed
WO-2003062232-A1 DERIVATIVES OF THIAZOLES USED FOR THE TREATMENT OF NEUROLOGICAL DISEASES SOCIETE DE CONSEILS DE RECHERCHE ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-07-31 WO disclosed