SCHEMBL4290434

SCHEMBL4290434

O=CCc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
CTSV O60911 4/20 0.54
CTSL P07711 4/20 0.54
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HTR1A P08908 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
PDCD1 Q15116 2/20 0.46
CD274 Q9NZQ7 2/20 0.46
ABCB1 P08183 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 2/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL8605605 0.89 ALDH1A1 (0.56) POLBCTSVCTSLMAPTMEN1
SCHEMBL16345929 0.86 POLB (0.50) POLBCTSVCTSLMAPTMEN1
SCHEMBL4643754 0.85 CTSV (0.56) POLBCTSVCTSLMAPTMEN1
SCHEMBL30008070 0.84 POLB (0.56) POLBCTSVCTSLMAPTMEN1
SCHEMBL10409125 0.84 POLB (0.56) POLBCTSVCTSLMAPTMEN1
SCHEMBL27792044 0.84 POLB (0.56) POLBCTSVCTSLMAPTMEN1
SCHEMBL4126272 0.84 CTSV (0.58) POLBCTSVCTSLMAPTMEN1
SCHEMBL3994909 0.84 POLB (0.56) POLBCTSVCTSLMAPTMEN1
SCHEMBL30008652 0.84 CTSV (0.58) POLBCTSVCTSLMAPTMEN1
SCHEMBL4643645 0.83 CTSV (0.57) POLBCTSVCTSLMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035004-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY Parion Sciences, Inc. (US) 2009-03-18 EP disclosed
WO-2007146869-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2007-12-21 WO disclosed
WO-2007146867-A2 ALIPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS WITH BETA AGONIST ACTIVITY PARION SCIENCES INC. (US) 2007-12-21 WO disclosed
WO-1997037646-A1 CATECHOLAMINE SURROGATES USEFUL AS β3 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-10-16 WO disclosed
EP-0772585-A1 ARYLOXY AND ARYLTHIOPROPANOLAMINE DERIVATIVES USEFUL AS BETA 3-ADRENORECEPTOR AGONISTS AND ANTAGONISTS OF THE BETA 1 AND BETA 2-ADRENORECEPTORS AND PHARMACEUTICAL COMPOSITION THEREOF SMITHKLINE BEECHAM PLC (GB) 1997-05-14 EP disclosed
WO-1996004233-A1 ARYLOXY AND ARYLTHIOPROPANOLAMINE DERIVATIVES USEFUL AS BETA 3-ADRENORECEPTOR AGONISTS AND ANTAGONISTS OF THE BETA 1 AND BETA 2-ADRENORECEPTORS AND PHARMACEUTICAL COMPOSITION THEREOF SMITHKLINE BEECHAM PLC (GB) 1996-02-15 WO disclosed