SCHEMBL4389872

SCHEMBL4389872

O=C(O)CCNc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.59
POLB P06746 2/20 0.59
DPP4 P27487 2/20 0.57
GAA P10253 3/20 0.56
CYP1A2 P05177 1/20 0.56
MAPT P10636 5/20 0.53
RAB9A P51151 4/20 0.53
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 3/20 0.53
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
LMNA P02545 2/20 0.52
KDM6B O15054 1/20 0.52
FTO Q9C0B1 1/20 0.52
EGLN1 Q9GZT9 1/20 0.52
KDM4C Q9H3R0 1/20 0.52
HIF1AN Q9NWT6 1/20 0.52
KDM5B Q9UGL1 1/20 0.52
KDM3A Q9Y4C1 1/20 0.52
HTT P42858 1/20 0.50

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
SCHEMBL4389868 1.00 SMN1; SMN2 (0.59) SMN1; SMN2POLBDPP4GAACYP1A2
SCHEMBL1100902 0.90 SMN1; SMN2 (0.56) SMN1; SMN2POLBDPP4GAACYP1A2
SCHEMBL29170274 0.85 RAB9A (0.56) SMN1; SMN2POLBDPP4GAACYP1A2
SCHEMBL7994938 0.84 POLB (0.62) SMN1; SMN2POLBDPP4GAACYP1A2
SCHEMBL5100760 0.83 SMN1; SMN2 (0.60) SMN1; SMN2POLBDPP4GAACYP1A2
SCHEMBL5091651 0.83 SMN1; SMN2 (0.53) SMN1; SMN2POLBDPP4GAACYP1A2
Oxalic Acid SCHEMBL7426081 0.83 POLB (0.57) SMN1; SMN2POLBDPP4GAACYP1A2
SCHEMBL29395449 0.82 POLB (0.63) SMN1; SMN2POLBDPP4GAACYP1A2
Hydrochloric Acid SCHEMBL5091570 0.82 SMN1; SMN2 (0.52) SMN1; SMN2POLBDPP4GAACYP1A2
SCHEMBL5089387 0.81 POLB (0.53) SMN1; SMN2POLBDPP4GAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125811-B1 N-(AMINO-HETEROARYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDES DERIVATIVES, PREPARATION THEREOF AND THEIR USE IN THERAPY SANOFI SA (FR) 2013-05-29 EP disclosed
EP-2125811-A2 N-(AMINO-HETEROARYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDES DERIVATIVES, PREPARATION THEREOF AND THEIR USE IN THERAPY Sanofi-Aventis (FR) 2009-12-02 EP disclosed
WO-2008093024-A2 N-(AMINO-HETEROARYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDES DERIVATIVES, PREPARATION THEREOF AND THEIR USE IN THERAPY SANOFI-AVENTIS (FR) 2008-08-07 WO disclosed