SCHEMBL28890049

SCHEMBL28890049

NC(=O)Oc1ccc(Cl)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CYP3A4 P08684 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CHEK2 O96017 1/20 0.41
KIF11 P52732 1/20 0.40
NR1H4 Q96RI1 3/20 0.39
HSP90AA1 P07900 2/20 0.39
ESR1 P03372 1/20 0.39
PKM P14618 1/20 0.39
ESR2 Q92731 1/20 0.39
CHRM3 P20309 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA7 P43166 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
SCHEMBL17242255 0.85 MEN1 (0.53) MEN1KMT2AALDH1A1TSHRHSD17B10
SCHEMBL23753577 0.84 MEN1 (0.57) MEN1KMT2ACYP3A4ALDH1A1TSHR
SCHEMBL5697552 0.82 MEN1 (0.59) MEN1KMT2ACYP3A4ALDH1A1HSD17B10
SCHEMBL28688992 0.81 MEN1 (0.53) MEN1KMT2AALDH1A1TSHRHSD17B10
SCHEMBL27646258 0.81 CYP3A4 (0.56) MEN1KMT2ACYP3A4ALDH1A1TSHR
SCHEMBL5260935 0.79 MEN1 (0.52) MEN1KMT2ACHEK2KIF11
SCHEMBL23753572 0.79 MCL1 (0.56) MEN1KMT2AALDH1A1TDP1PKM
SCHEMBL28476797 0.78 THRB (0.44) MEN1KMT2ACYP3A4ALDH1A1TSHR
SCHEMBL29250971 0.77 MEN1 (0.53) MEN1KMT2ACYP3A4KIF11ESR1
SCHEMBL3644529 0.77 KMT2A (0.53) MEN1KMT2ACYP3A4ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117695280-A Pyridin-2 (1H) -one quinolinone derivatives as mutant isocitrate dehydrogenase inhibitors 福马治疗股份有限公司 2024-03-15 CN disclosed
CN-111909130-B Pyridin-2 (1H) -one quinolinone derivatives as mutant isocitrate dehydrogenase inhibitors 福马治疗股份有限公司 2023-10-31 CN disclosed
CN-111909130-A Pyridin-2 (1H) -one quinolinone derivatives as mutant isocitrate dehydrogenase inhibitors 福马治疗股份有限公司 2020-11-10 CN disclosed
CN-107001328-B Pyridin-2 (1H) -one quinolinone derivatives as mutant isocitrate dehydrogenase inhibitors 福马治疗股份有限公司 2020-06-05 CN disclosed