SCHEMBL31363891

SCHEMBL31363891

COc1cc(C(C)(C)C)ncc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
ALDH1A1 P00352 7/20 0.42
TDP1 Q9NUW8 3/20 0.42
PIN1 Q13526 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
PRKDC P78527 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SIRT6 Q8N6T7 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
SCHEMBL29811955 0.84 FTO (0.42) PKMALDH1A1TDP1PIN1MAPT
SCHEMBL23144302 0.84 FTO (0.42) PKMALDH1A1TDP1PIN1MAPT
SCHEMBL30399809 0.78 ALDH1A1 (0.46) PKMALDH1A1TDP1PIN1MAPT
SCHEMBL4719832 0.78 ALDH1A1 (0.46) PKMALDH1A1TDP1PIN1MAPT
SCHEMBL14333666 0.78 ALDH1A1 (0.46) PKMALDH1A1TDP1PIN1MAPT
SCHEMBL17222837 0.77 ALDH1A1 (0.44) PKMALDH1A1TDP1PIN1MAPT
SCHEMBL31104497 0.77 ALDH1A1 (0.44) PKMALDH1A1TDP1PIN1MAPT
SCHEMBL221671 0.77 ALDH1A1 (0.44) PKMALDH1A1TDP1PIN1MAPT
SCHEMBL1100650 0.77 PIN1 (0.50) PKMALDH1A1TDP1PIN1MAPT
SCHEMBL29811740 0.77 PIN1 (0.50) PKMALDH1A1TDP1PIN1MAPT

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-2025059074-A1 BICYCLIC COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2025-03-20 WO disclosed