SCHEMBL30295653

SCHEMBL30295653

O=C(NCc1ccccc1)c1nc(-c2cc3c(Br)cccc3n2CC(F)(F)F)no1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC4 P56524 1/20 0.43
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.40
ROCK2 O75116 1/20 0.40
PKM P14618 1/20 0.40
F10 P00742 1/20 0.40
PTGER4 P35408 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL30295654 0.87 ALDH1A1 (0.41) SMN1; SMN2LMNAMAPTKMT2APOLB
SCHEMBL30295656 0.86 MAPT (0.34) SMN1; SMN2MAPTHDAC6KMT2AROCK2
SCHEMBL24035813 0.83 GLS (0.40) HDAC6HDAC4
SCHEMBL30177510 0.81 ALDH1A1 (0.37) LMNAMAPTHDAC6KMT2AROCK2
SCHEMBL24035812 0.80 HTT (0.44) LMNAMAPTPTGER4ALDH1A1HPGD
SCHEMBL24035386 0.79 SMN1; SMN2 (0.37) SMN1; SMN2LMNAMAPTHDAC6HDAC4
SCHEMBL24035888 0.77 MAPT (0.38) LMNAMAPTKMT2AROCK2ALDH1A1
SCHEMBL24035200 0.76 CYP2D6 (0.40) MAPTHDAC6ALDH1A1
SCHEMBL24035933 0.76 MAPT (0.39) LMNAMAPTHDAC6KMT2AROCK2
SCHEMBL30177453 0.75 CYP2D6 (0.43) HDAC6

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