SCHEMBL8773216

SCHEMBL8773216

COc1cc(Br)nc(OCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.51
ALDH1A1 P00352 2/20 0.47
NUDT1 P36639 1/20 0.46
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
PDE2A O00408 1/20 0.44
ABCB1 P08183 3/20 0.43
ALOX5 P09917 2/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
PTGES O14684 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL8773184 0.82 MAOB (0.51) MAOBALDH1A1NUDT1PDGFRBPDGFRA
SCHEMBL31287990 0.82 MAOB (0.51) MAOBALDH1A1NUDT1PDGFRBPDGFRA
SCHEMBL27032783 0.80 MAOB (0.61) MAOBALDH1A1PDGFRBPDGFRAALOX5
SCHEMBL25702898 0.79 PDE2A (0.48) MAOBPDE2AALOX5
SCHEMBL17594829 0.79 MAOB (0.58) MAOBALOX5LMNA
SCHEMBL2521216 0.78 ALOX5 (0.60) MAOBNUDT1ALOX5LMNA
SCHEMBL8561075 0.78 ALOX5 (0.48) MAOBALDH1A1NUDT1ALOX5PTGES
SCHEMBL8773240 0.78 L3MBTL1 (0.49) ALDH1A1NUDT1LMNAHTTNPSR1
SCHEMBL30825708 0.76 MAOB (0.60) MAOBALDH1A1PDGFRBPDGFRAABCB1
SCHEMBL7706826 0.76 ALDH1A1 (0.47) MAOBALDH1A1NUDT1ALOX5PTGES

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
US-5691277-A REACTING A 2,6-DIHALOGENOPYRIDINE WITH A META SUBSTITUTED PHENOL KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1997-11-25 US disclosed
EP-0692474-B1 2- (unsubstituted or substituted) (benzyloxy or phenoxy)-4-substituted-6-(meta-substituted phenoxy) pyridine, process for producing the same, and herbicidal composition KUREHA CHEMICAL IND CO LTD (JP) 1997-10-29 EP disclosed
EP-0692474-A1 2- (unsubstituted or substituted) (benzyloxy or phenoxy)-4-substituted-6-(meta-substituted phenoxy) pyridine, process for producing the same, and herbicidal composition KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-01-17 EP disclosed