SCHEMBL29065134

SCHEMBL29065134

Nc1cccc2c1cc(-c1noc(CNC(=O)C3CC3)n1)n2C(F)C(F)F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36
CNR1 P21554 2/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
HDAC2 Q92769 1/20 0.33
NQO2 P16083 1/20 0.33

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
SCHEMBL29064981 0.87 MAPT (0.39) LMNAMAPTMEN1KMT2ATP53
SCHEMBL29065062 0.85 CNR1 (0.34) LMNAMAPTMEN1KMT2ATP53
SCHEMBL29065032 0.85 CNR1 (0.38) LMNATP53CNR1
SCHEMBL24035319 0.83 HDAC1 (0.38) LMNAMAPTMEN1KMT2ATP53
SCHEMBL29065124 0.82 MAPT (0.36) LMNAMAPTMEN1KMT2ATP53
SCHEMBL24036171 0.80 HDAC1 (0.41) LMNAMAPTMEN1KMT2ATP53
SCHEMBL29065076 0.78 MAPT (0.38) LMNAMAPTMEN1KMT2ATP53
SCHEMBL29064936 0.76 MAPT (0.35) LMNAMAPTMEN1KMT2ATP53
SCHEMBL29065022 0.73 CYP2D6 (0.39) LMNAMAPTMEN1KMT2ATP53
SCHEMBL30295646 0.71 MAPT (0.39) LMNAMAPTCNR1HDAC1HDAC8

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-116710430-A Methods and compounds for restoring mutant p53 function 皮姆维制药公司 2023-09-05 CN disclosed