SCHEMBL3941650

SCHEMBL3941650

NCCCCNc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
POLB P06746 2/20 0.56
DPP4 P27487 2/20 0.54
MAPT P10636 6/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
GAA P10253 3/20 0.53
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
CYP1A2 P05177 1/20 0.49
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
KAT2B Q92831 1/20 0.47

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
SCHEMBL5099213 0.95 SMN1; SMN2 (0.57) SMN1; SMN2POLBDPP4MAPTRAB9A
SCHEMBL6087660 0.91 DPP4 (0.57) SMN1; SMN2POLBDPP4MAPTRAB9A
SCHEMBL1146057 0.89 SMN1; SMN2 (0.60) SMN1; SMN2POLBDPP4MAPTRAB9A
SCHEMBL30014816 0.89 SMN1; SMN2 (0.60) SMN1; SMN2POLBDPP4MAPTRAB9A
Hydrochloric Acid SCHEMBL6638580 0.88 SMN1; SMN2 (0.58) SMN1; SMN2POLBDPP4MAPTRAB9A
SCHEMBL10428305 0.84 SMN1; SMN2 (0.55) SMN1; SMN2POLBDPP4MAPTRAB9A
SCHEMBL10514450 0.84 SMN1; SMN2 (0.55) SMN1; SMN2POLBDPP4MAPTRAB9A
SCHEMBL10512551 0.84 SMN1; SMN2 (0.55) SMN1; SMN2POLBDPP4MAPTRAB9A
SCHEMBL10428096 0.84 SMN1; SMN2 (0.55) SMN1; SMN2POLBDPP4MAPTRAB9A
SCHEMBL5653220 0.84 SMN1; SMN2 (0.55) SMN1; SMN2POLBDPP4MAPTRAB9A

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-1831198-B1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-04-08 EP disclosed
CN-101128454-A Pyridine carboxamide derivatives for use as anticancer agents ASTRAZENECA AB (SE) 2008-02-20 CN disclosed
WO-1999021870-A1 ERYTHROMYCIN A 11, 12-CARBAMATE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 1999-05-06 WO disclosed