SCHEMBL10878433

SCHEMBL10878433

CC(C)NCCNC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.65
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 1/20 0.62
USP2 O75604 1/20 0.62
LMNA P02545 1/20 0.62
RAB9A P51151 5/20 0.58
NPC1 O15118 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TAAR1 Q96RJ0 1/20 0.58
GAA P10253 1/20 0.58
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC4 P56524 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54

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
SCHEMBL11621538 0.87 MAPT (0.81) MAPTALDH1A1KDM4EUSP2LMNA
SCHEMBL10099553 0.84 MAPT (0.64) MAPTALDH1A1KDM4EUSP2LMNA
SCHEMBL9827893 0.83 MAPT (0.70) MAPTALDH1A1KDM4EUSP2LMNA
SCHEMBL3704980 0.81 MAPT (0.68) MAPTALDH1A1KDM4EUSP2LMNA
SCHEMBL4782773 0.81 MAPT (0.67) MAPTALDH1A1KDM4EUSP2LMNA
SCHEMBL5940592 0.80 RAB9A (0.74) MAPTALDH1A1KDM4EUSP2LMNA
SCHEMBL14066860 0.80 MAPT (0.62) MAPTALDH1A1KDM4EUSP2LMNA
SCHEMBL23842313 0.80 HDAC1 (0.78) MAPTALDH1A1KDM4EUSP2LMNA
SCHEMBL2558734 0.80 MAPT (0.69) MAPTALDH1A1KDM4EUSP2LMNA
SCHEMBL8612164 0.80 HDAC1 (0.78) MAPTALDH1A1KDM4EUSP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0199042-A1 Procainamide assay, tracers, immunogens and antibodies ABBOTT LABORATORIES (US) 1986-10-29 EP disclosed