SCHEMBL24036353

SCHEMBL24036353

CC(=O)NCc1nc(-c2cc3c(N)cccc3n2CC(F)(F)F)no1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.39
MAPT P10636 6/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL24036289 0.88 CYP2D6 (0.38) MAPTKMT2AMEN1LMNA
SCHEMBL24035319 0.87 HDAC1 (0.38) MAPTKMT2AMEN1LMNAHDAC1
SCHEMBL24035988 0.87 MAPT (0.41) MAPTLMNAHDAC1HDAC2
SCHEMBL24035941 0.87 MAPT (0.37) MAPTKMT2AMEN1LMNATP53
SCHEMBL24036170 0.86 HDAC4 (0.44) MAPTHDAC1HDAC2TP53
SCHEMBL24036171 0.86 HDAC1 (0.41) MAPTKMT2AMEN1LMNAHDAC1
SCHEMBL24035881 0.85 LMNA (0.43) MAPTKMT2ALMNATP53
SCHEMBL24852874 0.85 MAPT (0.37) MAPTKMT2AMEN1LMNAHDAC1
SCHEMBL24036294 0.85 MAPT (0.40) MAPTKMT2ALMNAHDAC1HDAC2
SCHEMBL24035160 0.85 HDAC1 (0.35) MAPTKMT2AMEN1LMNAHDAC1

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
WO-2021231474-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2021-11-18 WO disclosed