SCHEMBL30295646

SCHEMBL30295646

O=C(NCc1nc(-c2cc3c([N+](=O)[O-])cccc3n2CC(F)(F)F)no1)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
HDAC1 Q13547 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HDAC2 Q92769 1/20 0.34
LMNA P02545 1/20 0.34
CNR1 P21554 1/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
KCNH2 Q12809 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
SCHEMBL24035319 0.86 HDAC1 (0.38) MAPTHDAC1HDAC8HDAC6HDAC5
SCHEMBL29064981 0.85 MAPT (0.39) MAPTHTTLMNACNR1
SCHEMBL30177452 0.85 MAPT (0.41) MAPTHTTHDAC1HDAC8HDAC6
SCHEMBL30295688 0.83 MAPT (0.44) MAPTHTTLMNA
SCHEMBL24036171 0.83 HDAC1 (0.41) MAPTHDAC1HDAC8HDAC6HDAC5
SCHEMBL24035799 0.83 CNR1 (0.37) HDAC1HDAC8HDAC6HDAC5CNR1
SCHEMBL30295747 0.83 MAPT (0.45) MAPTHTTALDH1A1LMNA
SCHEMBL24035163 0.83 LMNA (0.36) HDAC1HDAC8HDAC6HDAC5LMNA
SCHEMBL26735363 0.82 HDAC2 (0.36) MAPTHTTHDAC1HDAC8ALDH1A1
SCHEMBL30177509 0.82 MAPT (0.43) MAPTHTTHDAC1HDAC8ALDH1A1

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