SCHEMBL4768490

SCHEMBL4768490

CCOC(=O)Oc1ccc([N+](=O)[O-])c(NCCC(C)(C)[N+](=O)[O-])n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.39
MAOB P27338 2/20 0.39
MAPT P10636 6/20 0.37
ALDH1A1 P00352 4/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
PKM P14618 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
TXNRD1 Q16881 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
LMNA P02545 3/20 0.36
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 2/20 0.35
PTGER4 P35408 1/20 0.35
POLB P06746 2/20 0.34
GALR2 O43603 1/20 0.34

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
SCHEMBL4892950 0.83 MAPT (0.42) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL4777133 0.74 MAPT (0.58) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL4768431 0.71 CTSB (0.42) MAPTALDH1A1RAB9ANPC1LMNA
SCHEMBL9694197 0.71 LMNA (0.50) MAOAMAOBMAPTALDH1A1TXNRD1
SCHEMBL4917447 0.70 MAPT (0.75) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL5832677 0.69 TXNRD1 (0.63) MAPTALDH1A1RAB9ANPC1TXNRD1
SCHEMBL10654754 0.69 TXNRD1 (0.55) MAPTRAB9ATXNRD1MAPK1HSP90AA1
SCHEMBL5345905 0.68 KMT2A (0.45) MAOAMAOBMAPTALDH1A1PKM
SCHEMBL9794246 0.68 TXNRD1 (0.53) MAPTALDH1A1RAB9ATXNRD1MAPK1
SCHEMBL1809900 0.68 MAPT (0.58) MAPTALDH1A1RAB9ANPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945304-A2 IMIDAZO-PYRIDINE CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-23 EP disclosed
WO-2007048843-A2 IMIDAZO-PYRIDINE CONTAINING BETA AGONISTS, METHOD FOR PRODUCING THEM AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 WO disclosed