SCHEMBL8101163

SCHEMBL8101163

CCNC(C)NC(=O)c1ccc(NC(C)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.51
▸ APBA1 Q02410 1/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ HTT P42858 2/20 0.50
▸ ALDH1A1 P00352 5/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ ADRB2 P07550 1/20 0.46

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
SCHEMBL13116021 0.81 ALDH1A1 (0.60) CACNA1BAPBA1SMN1; SMN2HTTALDH1A1
SCHEMBL5502887 0.80 CACNA1B (0.61) CACNA1BAPBA1SMN1; SMN2HTTALDH1A1
SCHEMBL3786785 0.80 RAB9A (0.54) SMN1; SMN2HTTALDH1A1KMT2AMEN1
SCHEMBL10496871 0.78 ALDH1A1 (0.50) CACNA1BAPBA1SMN1; SMN2HTTALDH1A1
SCHEMBL5505094 0.78 NAMPT (0.58) CACNA1BAPBA1SMN1; SMN2HTTALDH1A1
SCHEMBL12368426 0.77 ALDH1A1 (0.65) CACNA1BAPBA1SMN1; SMN2HTTALDH1A1
Hydrochloric Acid SCHEMBL10390651 0.77 MEN1 (0.49) CACNA1BAPBA1SMN1; SMN2HTTALDH1A1
SCHEMBL17633861 0.75 CACNA1B (0.54) CACNA1BAPBA1SMN1; SMN2HTTALDH1A1
SCHEMBL14880210 0.75 CACNA1B (0.67) CACNA1BAPBA1SMN1; SMN2HTTALDH1A1
SCHEMBL13210697 0.74 CACNA1B (0.85) CACNA1BAPBA1SMN1; SMN2HTTALDH1A1

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-0734526-A4 MALEIMIDE ADDUCT CONJUGATES OF PROCAINAMIDE AND NAPA ROCHE DIAGNOSTICS CORP (US) 2000-03-29 — — EP disclosed
EP-0734526-A1 MALEIMIDE ADDUCT CONJUGATES OF PROCAINAMIDE AND NAPA BOEHRINGER MANNHEIM CORPORATION (US) 1996-10-02 — — EP disclosed
US-5439798-A Immunoassay; competitive binding; quantitative analysis BOEHRINGER MANNHEIM CORPORATION (US) 1995-08-08 — — US disclosed
WO-1995016894-A1 MALEIMIDE ADDUCT CONJUGATES OF PROCAINAMIDE AND NAPA BOEHRINGER MANNHEIM CORPORATION (US) 1995-06-22 — — WO disclosed
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