SCHEMBL7994938

SCHEMBL7994938

O=C(O)NCCNc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.62
ALDH1A1 P00352 2/20 0.59
DPP4 P27487 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
GAA P10253 2/20 0.55
CYP1A2 P05177 1/20 0.55
MAPT P10636 3/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
LMNA P02545 1/20 0.51
MAPK8 P45983 1/20 0.49
DPP7 Q9UHL4 1/20 0.49
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49

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
SCHEMBL29395449 0.90 POLB (0.63) POLBALDH1A1DPP4SMN1; SMN2GAA
SCHEMBL7233175 0.87 GAA (0.65) POLBALDH1A1DPP4SMN1; SMN2GAA
SCHEMBL22371621 0.87 MAPT (0.56) POLBALDH1A1DPP4SMN1; SMN2GAA
SCHEMBL6697154 0.86 ALDH1A1 (0.63) POLBALDH1A1DPP4SMN1; SMN2GAA
SCHEMBL4389868 0.84 SMN1; SMN2 (0.59) POLBALDH1A1DPP4SMN1; SMN2GAA
SCHEMBL4389872 0.84 SMN1; SMN2 (0.59) POLBALDH1A1DPP4SMN1; SMN2GAA
SCHEMBL13947445 0.83 POLB (0.60) POLBALDH1A1DPP4SMN1; SMN2GAA
SCHEMBL5091559 0.83 POLB (0.60) POLBALDH1A1DPP4SMN1; SMN2GAA
SCHEMBL5100760 0.82 SMN1; SMN2 (0.60) POLBALDH1A1DPP4SMN1; SMN2GAA
Oxalic Acid SCHEMBL7426081 0.82 POLB (0.57) POLBALDH1A1DPP4SMN1; SMN2GAA

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-2001077077-A1 SUBSTITUTED (HETERO)ARYL CARBOXAMIDE DERIVATIVES AS MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND APOLIPOPROTEIN B (APO B) SECRETION NOVARTIS AG (CH) 2001-10-18 WO disclosed