SCHEMBL30396199

SCHEMBL30396199

Cc1c(Oc2c(F)ccc(N)c2Cl)ccc([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
TDP1 Q9NUW8 4/20 0.39
MEN1 O00255 4/20 0.39
TTR P02766 3/20 0.39
ALB P02768 1/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 3/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPOX P50336 1/20 0.36
MAPT P10636 2/20 0.35
HSPB1 P04792 1/20 0.34
PDE7A Q13946 1/20 0.34
TSHR P16473 3/20 0.33
KDM4E B2RXH2 1/20 0.32
ALOX12 P18054 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL30353744 0.89 TDP1 (0.41) KMT2ATDP1MEN1TTRALB
SCHEMBL29021864 0.89 TDP1 (0.41) KMT2ATDP1MEN1TTRALB
SCHEMBL29561773 0.87 LMNA (0.36) KMT2ATDP1MEN1TTRALB
SCHEMBL22832028 0.87 LMNA (0.36) KMT2ATDP1MEN1TTRALB
SCHEMBL30353742 0.83 TDP1 (0.42) KMT2ATDP1MEN1TTRALB
SCHEMBL29021770 0.83 TDP1 (0.42) KMT2ATDP1MEN1TTRALB
SCHEMBL29021594 0.82 TDP1 (0.41) KMT2ATDP1MEN1TTRALB
SCHEMBL30353743 0.82 TDP1 (0.41) KMT2ATDP1MEN1TTRALB
SCHEMBL29932364 0.80 TDP1 (0.34) KMT2ATDP1MEN1TTRL3MBTL1
SCHEMBL29021814 0.80 TDP1 (0.34) KMT2ATDP1MEN1TTRL3MBTL1

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
CN-116096710-A 4-oxo-3, 4-dihydroquinazolinone compounds for the treatment of BRAF related diseases and disorders 阿雷生物药品公司 2023-05-09 CN disclosed