SCHEMBL4286871

SCHEMBL4286871

O=CC(Br)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
CTSV O60911 4/20 0.49
CTSL P07711 4/20 0.49
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
FFAR1 O14842 1/20 0.43
PIN1 Q13526 2/20 0.43
ABCB1 P08183 1/20 0.42
SGMS2 Q8NHU3 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL27468143 0.86 POLB (0.48) POLBCTSVCTSLMAPTMEN1
SCHEMBL3874013 0.86 HTR1A (0.44) POLBCTSVCTSLMAPTMEN1
SCHEMBL10477773 0.83 L3MBTL1 (0.43) POLBMAPTMEN1KMT2ANPC1
SCHEMBL7605362 0.83 CTSV (0.52) POLBCTSVCTSLMAPTMEN1
SCHEMBL3645428 0.83 CTSV (0.52) POLBCTSVCTSLMAPTMEN1
SCHEMBL7610300 0.83 CTSV (0.52) POLBCTSVCTSLMAPTMEN1
SCHEMBL24061314 0.82 POLB (0.54) POLBCTSVCTSLMAPTMEN1
SCHEMBL28809924 0.81 CTSV (0.50) POLBCTSVCTSLMAPTMEN1
SCHEMBL718146 0.81 CTSV (0.52) POLBCTSVCTSLMAPTMEN1
SCHEMBL29896946 0.81 CTSV (0.52) 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 3 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