SCHEMBL30295656

SCHEMBL30295656

O=C(O)c1nc(-c2cc3c(Br)cccc3n2CC(F)(F)F)no1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
TP53 P04637 2/20 0.34
CNR2 P34972 6/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CTNNB1 P35222 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
RORA P35398 1/20 0.32
RORC P51449 1/20 0.32
RORB Q92753 1/20 0.32
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCI P41743 1/20 0.32
PRKCE Q02156 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
SCHEMBL30295653 0.86 SMN1; SMN2 (0.48) MAPTHDAC6KMT2AROCK2SMN1; SMN2
SCHEMBL24035812 0.86 HTT (0.44) MAPTTP53CTNNB1GAAHTT
SCHEMBL24852937 0.81 CNR2 (0.34) MAPTTP53CNR2HDAC1HDAC8
SCHEMBL24035276 0.81 CNR2 (0.35) MAPTTP53CNR2HDAC1HDAC8
SCHEMBL24035813 0.80 GLS (0.40) CNR2HDAC6
SCHEMBL30295654 0.80 ALDH1A1 (0.41) MAPTTP53KMT2ARXFP1ROCK2
SCHEMBL29065052 0.79 MEN1 (0.32) MEN1KMT2ARXFP1
SCHEMBL24035200 0.77 CYP2D6 (0.40) MAPTTP53CNR2HDAC6
SCHEMBL30177510 0.77 ALDH1A1 (0.37) MAPTTP53CNR2HDAC6KMT2A
SCHEMBL24035596 0.75 CCR2 (0.48) RORARORCRORB

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
EP-4149459-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2023-03-22 EP disclosed