SCHEMBL30101958

SCHEMBL30101958

CS(=O)(=O)CCNC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2cccnc2)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ XBP1 P17861 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TP53 P04637 2/20 0.44
▸ PPARD Q03181 1/20 0.44
▸ POLB P06746 3/20 0.44
▸ TRPV1 Q8NER1 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ EGLN1 Q9GZT9 1/20 0.42
▸ NTRK1 P04629 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ SORT1 Q99523 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 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
SCHEMBL23951108 1.00 MAPT (0.45) MAPTLMNAXBP1SMN1; SMN2NPSR1
SCHEMBL23951132 0.88 MAPT (0.45) MAPTLMNAXBP1SMN1; SMN2NPSR1
SCHEMBL30101970 0.82 DHODH (0.52) MAPTLMNAXBP1SMN1; SMN2NPSR1
SCHEMBL23950691 0.82 DHODH (0.52) MAPTLMNAXBP1SMN1; SMN2NPSR1
SCHEMBL26294121 0.75 AHR (0.49) MAPTLMNAXBP1SMN1; SMN2NPSR1
SCHEMBL26294251 0.75 ACVR1B (0.43) MAPTTP53POLBTDP1HCRTR1
SCHEMBL26294134 0.72 AHR (0.63) MAPTTP53PPARD
SCHEMBL26294114 0.72 AHR (0.63) MAPTTP53PPARD
SCHEMBL25404965 0.71 AHR (0.52) MAPTPPARD
SCHEMBL26294510 0.71 CYP2C9 (0.55) MAPTLMNAXBP1SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115443276-B Pyridopyrimidinone derivatives and their use as arene receptor modulators 东亚ST株式会社 2025-04-18 — — CN disclosed
CN-115443276-A Pyridopyrimidinone derivatives and their use as modulators of aromatic hydrocarbon receptors 东亚ST株式会社 2022-12-06 — — CN disclosed
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