SCHEMBL30999992

SCHEMBL30999992

O=C(Cc1ccccc1)Nc1nsc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.66
ALDH1A1 P00352 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 3/20 0.52
KMT2A Q03164 6/20 0.49
MEN1 O00255 4/20 0.49
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
CCR6 P51684 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
HTT P42858 1/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.44

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
SCHEMBL31000020 0.83 CDK2 (0.45) CDK2ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL6600101 0.80 CDK2 (1.00) CDK2ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL30999993 0.79 DYRK1A (0.51) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL4884039 0.75 TP53 (0.45) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL8363843 0.74 MAPT (0.42) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL17234181 0.73 MAPT (0.58) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL17224014 0.73 CYP1A2 (0.48) CDK2ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL6754266 0.72 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL27841700 0.72 MEN1 (0.74) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL27406580 0.72 LMNA (0.70) CDK2ALDH1A1SMN1; SMN2LMNAKMT2A

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-4658264-A2 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TO INHIBIT PROTEIN AGGREGATION Purdue Research Foundation (US) 2025-12-10 EP disclosed
WO-2024163907-A2 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TO INHIBIT PROTEIN AGGREGATION PURDUE RESEARCH FOUNDATION (US) 2024-08-08 WO disclosed