SCHEMBL9514826

SCHEMBL9514826

O=[N+]([O-])c1ccc(CN2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.90

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.90
ALDH1A1 P00352 2/20 0.59
MAPT P10636 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 1/20 0.59
KCNJ1 P48048 1/20 0.59
KDM4E B2RXH2 2/20 0.57
CASP1 P29466 1/20 0.57
CASP4 P49662 1/20 0.57
CASP5 P51878 1/20 0.57
NPBWR1 P48145 1/20 0.52
MCHR1 Q99705 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NPC1 O15118 1/20 0.51
NR2F2 P24468 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL1509517 0.94 POLB (1.00) POLBALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL3151686 0.86 POLB (0.71) POLBALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL3439980 0.85 POLB (0.73) POLBALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL25368316 0.84 POLB (0.73) POLBALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL15347670 0.84 POLB (0.73) POLBALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL11556051 0.83 POLB (0.71) POLBALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL11550138 0.83 POLB (0.75) POLBALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL11551844 0.83 POLB (0.71) POLBALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL11549718 0.83 POLB (0.71) POLBALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL1126947 0.83 POLB (0.75) POLBALDH1A1MAPTSMN1; SMN2LMNA

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-0233051-B1 ANTIARRHYTHMIC AGENTS Pfizer Limited (GB) 1993-09-15 EP disclosed
US-4806536-A Piperazinyl-substituted pyridine and imidazole anti-arrhythmic agents PFIZER, INC. (US) 1989-02-21 US disclosed
EP-0233051-A2 Antiarrhythmic Agents Pfizer Limited (GB) 1987-08-19 EP disclosed