SCHEMBL30999993

SCHEMBL30999993

CC(=O)Nc1nsc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 2/20 0.46
CYP1A2 P05177 1/20 0.46
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
POLB P06746 2/20 0.44
STAT1 P42224 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
KMT2A Q03164 6/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 4/20 0.42
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.42
HTT P42858 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
PKM P14618 2/20 0.40

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) DYRK1ASMN1; SMN2GAAPOLBKMT2A
SCHEMBL8363843 0.83 MAPT (0.42) DYRK1ASMN1; SMN2POLBSTAT1KMT2A
SCHEMBL30999992 0.79 CDK2 (0.66) SMN1; SMN2GAAKMT2AMAPTMEN1
SCHEMBL17234004 0.79 RAB9A (0.41) SMN1; SMN2ABCG2KMT2AMAPTRAB9A
SCHEMBL4882428 0.78 MGLL (0.47) SMN1; SMN2POLBALDH1A1HTT
SCHEMBL17224016 0.78 SMN1; SMN2 (0.52) SMN1; SMN2CYP1A2KMT2AMAPTRAB9A
SCHEMBL6778003 0.78 DYRK1A (0.45) DYRK1ASMN1; SMN2GAACYP1A2CSNK2A2
SCHEMBL17234181 0.78 MAPT (0.58) SMN1; SMN2POLBKMT2AMAPTRAB9A
SCHEMBL17233947 0.77 SMN1; SMN2 (0.42) SMN1; SMN2CYP1A2POLBKMT2AMAPT
SCHEMBL17233990 0.77 MAPT (0.38) DYRK1ASMN1; SMN2POLBSTAT1KMT2A

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