SCHEMBL9769475

SCHEMBL9769475

CN(CCOc1ccc([N+](=O)[O-])cc1)C1Cc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.54
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
GAA P10253 1/20 0.46
PNMT P11086 4/20 0.43
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
LSS P48449 2/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9769482 0.81 SIGMAR1 (0.49) KCNH2PNMTADRA2AADRA2BADRA2C
SCHEMBL14878929 0.79 PNMT (0.55) PNMTADRA2AADRA2BADRA2C
SCHEMBL9716410 0.79 PNMT (0.48) KCNH2PNMTADRA2AADRA2BADRA2C
SCHEMBL30561524 0.77 PNMT (0.56) PNMTADRA2AADRA2BADRA2C
SCHEMBL1640125 0.77 PNMT (0.56) PNMTADRA2AADRA2BADRA2C
SCHEMBL9769468 0.76 TDP1 (0.39) KCNH2
SCHEMBL1962562 0.74 KCNH2 (0.68) KCNH2CHRNB2CHRNA4GAAMAPT
Hydrochloric Acid SCHEMBL3570004 0.73 KCNH2 (0.67) KCNH2CHRNB2CHRNA4GAALSS
Hydrochloric Acid SCHEMBL8176570 0.73 GRIN2B (0.49) PNMTADRA2AADRA2BADRA2C
SCHEMBL9769480 0.73 KCNH2 (0.57) KCNH2MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1016506-B Preparation method of 1, 2-indane sulfonamide compound with antiarrhythmic drug activity PFIZER LTD (GB) 1992-05-06 CN disclosed
US-5006561-A Indane sulfonamide anti-arrhythmic agents and use PFIZER INC. (US) 1991-04-09 US disclosed
CN-1038449-A Antiarrhythmics PFIZER LTD (GB) 1990-01-03 CN disclosed
EP-0286278-A1 Indanamine derivatives useful as antiarrhythmic agents Pfizer Limited (GB) 1988-10-12 EP disclosed