SCHEMBL31363986

SCHEMBL31363986

COc1cc(C(C)(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
TDP1 Q9NUW8 3/20 0.53
LMNA P02545 2/20 0.51
SIRT6 Q8N6T7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CHEK1 O14757 4/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
PRKDC P78527 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL4241671 1.00 ALDH1A1 (0.53) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL8626579 0.86 ALDH1A1 (0.53) ALDH1A1TDP1LMNAHPGDNPSR1
SCHEMBL23144086 0.85 ALDH1A1 (0.51) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL29811691 0.85 ALDH1A1 (0.51) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL15828734 0.85 ALDH1A1 (0.43) ALDH1A1TDP1LMNAL3MBTL1HPGD
SCHEMBL2815324 0.83 ALDH1A1 (0.46) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL2946298 0.83 CHEK1 (0.50) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL2946295 0.83 CHEK1 (0.50) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL14141587 0.82 ALDH1A1 (0.41) ALDH1A1TDP1LMNASIRT6L3MBTL1
SCHEMBL15456899 0.82 CHEK1 (0.49) ALDH1A1TDP1LMNASIRT6L3MBTL1

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