SCHEMBL24970320

SCHEMBL24970320

Cc1ccn(C(=O)Oc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
GAA P10253 1/20 0.49
SCN4A P35499 1/20 0.47
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MGLL Q99685 4/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.42
FAAH O00519 1/20 0.42

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
SCHEMBL21896802 0.83 SCN4A (0.50) GAASCN4ABCL9CTNNB1CYP1A2
SCHEMBL20570751 0.82 SCN4A (0.46) GAASCN4ABCL9CTNNB1CYP1A2
SCHEMBL29019508 0.82 GAA (0.45) GAASCN4ABCL9CTNNB1CYP1A2
SCHEMBL20567635 0.81 SCN4A (0.51) GAASCN4ABCL9CTNNB1CYP1A2
SCHEMBL20503479 0.81 GAA (0.48) GAASCN4ABCL9CTNNB1CYP1A2
SCHEMBL22350699 0.80 GAA (0.43) GAASCN4ABCL9CTNNB1CYP1A2
SCHEMBL20503501 0.79 GAA (0.42) GAASCN4ABCL9CTNNB1CYP1A2
SCHEMBL20566659 0.79 MAPT (0.43) GAASCN4ABCL9CTNNB1CYP1A2
SCHEMBL17276517 0.77 GAA (0.48) GAABCL9CTNNB1CYP1A2CYP2D6
SCHEMBL31568215 0.76 GAA (0.50) GAABCL9CTNNB1CYP1A2CYP2D6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4712961-A2 KRAS G12S AND G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2026-03-25 EP disclosed
WO-2024238633-A2 KRAS G12S AND G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2024-11-21 WO disclosed
EP-4198024-A1 PYRAZOLE MAGL INHIBITORS H. Lundbeck A/S (DK) 2023-06-21 EP disclosed
EP-3630744-B1 PYRAZOLE MAGL INHIBITORS H LUNDBECK AS (DK) 2023-01-25 EP disclosed