SCHEMBL9759912

SCHEMBL9759912

CS(=O)(=O)Nc1ccc(OCC2CCN(c3cc([N+](=O)[O-])ccn3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.49
SIGMAR1 Q99720 2/20 0.46
ADRB1 P08588 1/20 0.43
F2 P00734 2/20 0.39
LTA4H P09960 1/20 0.38
ALDH1A1 P00352 1/20 0.38
IKBKB O14920 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL9759732 0.84 ADRB1 (0.43) ADRB1LTA4H
SCHEMBL10680167 0.81 MAPT (0.47) ALDH1A1LMNAKDM4ETDP1
SCHEMBL9759900 0.77 ADRB1 (0.52) ADRB1LTA4H
SCHEMBL10580608 0.76 MEN1 (0.48) ALDH1A1LMNAKDM4ETDP1
SCHEMBL27935616 0.70 SIGMAR1 (0.67) CYP19A1SIGMAR1F2ALDH1A1LMNA
SCHEMBL28401966 0.70 MAPT (0.47) ALDH1A1LMNAKDM4ETDP1
SCHEMBL9760464 0.69 TDP1 (0.58) ADRB1LTA4HALDH1A1LMNAMAPK1
SCHEMBL14799084 0.69 CYP19A1 (0.89) CYP19A1ALDH1A1
SCHEMBL9761106 0.69 SIGMAR1 (0.64) SIGMAR1LMNA
SCHEMBL1517205 0.68 MAPT (0.59) ALDH1A1LMNAMAPK1TDP1

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-5057528-A AMINO-PYRIDINE COMPOUNDS USEFUL AS ANTI-ARRHYTHMIC AGENTS PFIZER INC. (US) 1991-10-15 US disclosed
US-4968704-A PROLONG DURATION OF ACTION POTENTIAL IN CARDIAC MUSCLE AND CONDUCTING TISSUE PFIZER INC. (US) 1990-11-06 US disclosed
EP-0359389-A1 Antiarrhythmic agents Pfizer Limited (GB) 1990-03-21 EP disclosed