SCHEMBL3717744

SCHEMBL3717744

N=CCc1cncc([N+](=O)[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 2/20 0.36
TSHR P16473 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
CYP19A1 P11511 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL287221 0.87 SMN1; SMN2 (0.37) SMN1; SMN2POLBTSHRALDH1A1LMNA
SCHEMBL7674650 0.79 TSHR (0.39) SMN1; SMN2POLBTSHRALDH1A1LMNA
SCHEMBL5116443 0.78 GAA (0.40) SMN1; SMN2POLBTSHRRXFP1ALDH1A1
SCHEMBL12466487 0.78 SMN1; SMN2 (0.38) SMN1; SMN2POLBTSHRALDH1A1LMNA
SCHEMBL28094372 0.78 POLB (0.44) SMN1; SMN2POLBTSHRRXFP1ALDH1A1
SCHEMBL5252228 0.76 CYP19A1 (0.55) SMN1; SMN2TSHRALDH1A1LMNAHTT
SCHEMBL24534037 0.74 ALDH1A1 (0.39) SMN1; SMN2POLBTSHRALDH1A1LMNA
SCHEMBL3718150 0.73 TSHR (0.62) POLBTSHRALDH1A1LMNAMAPT
SCHEMBL14782135 0.72 POLB (0.49) SMN1; SMN2POLBTSHRALDH1A1LMNA
Ethylene SCHEMBL28777120 0.72 CYP19A1 (0.50) SMN1; SMN2TSHRALDH1A1LMNAHTT

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
WO-2010128058-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed