SCHEMBL30879022

SCHEMBL30879022

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SIRT6 Q8N6T7 1/20 0.40
CHEK1 O14757 3/20 0.40
BACE1 P56817 2/20 0.40
PTBP1 P26599 1/20 0.39

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
SCHEMBL26383006 0.90 ALDH1A1 (0.49) LMNAMAPTALDH1A1TDP1SMN1; SMN2
SCHEMBL30879007 0.87 MAPT (0.44) LMNAMAPTALDH1A1TDP1SMN1; SMN2
SCHEMBL520092 0.87 LMNA (0.44) LMNAMAPTALDH1A1TDP1SMN1; SMN2
SCHEMBL30879125 0.85 LMNA (0.45) LMNAMAPTALDH1A1TDP1SMN1; SMN2
SCHEMBL521221 0.79 SIRT6 (0.53) LMNAMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL222267 0.78 MAPT (0.62) LMNAMAPTALDH1A1TDP1L3MBTL1
SCHEMBL520652 0.78 KMT2A (0.50) LMNAMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL2205963 0.78 LMNA (0.43) LMNAALDH1A1SMN1; SMN2L3MBTL1PTBP1
SCHEMBL30879400 0.78 ALDH1A1 (0.44) LMNAALDH1A1TDP1L3MBTL1CHEK1
SCHEMBL3939407 0.78 ALDH1A1 (0.44) LMNAALDH1A1TDP1L3MBTL1CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4612148-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER Cancer Research Technology Limited (GB) 2025-09-10 EP disclosed
WO-2024094963-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE AND 7-AMINO-1-PYRIMIDO[4,5-D]PYRIMIDIN-2(1 H)-ONE DERIVATIVES AS EGFR INHIBITORS FOR THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-05-10 WO disclosed