SCHEMBL9828971

SCHEMBL9828971

Cc1cnc(N2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)n1C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.42
CA1 P00915 3/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CHRNA7 P36544 9/20 0.41
PARP1 P09874 1/20 0.37
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TP53 P04637 2/20 0.36
GPR119 Q8TDV5 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL9829274 0.83 SLC18A3 (0.40) PARP1
SCHEMBL9828873 0.81 ALDH1A1 (0.40) PARP1TP53GPR119
SCHEMBL9828240 0.81 SLC18A3 (0.45) PARP1MEN1KMT2ANPSR1
SCHEMBL9828015 0.74 CHRNA7 (0.50) CA2CA1CA12CA9CA7
SCHEMBL9827723 0.70 CHRNA7 (0.48) CA2CA1CA12CA9CA7
SCHEMBL8323422 0.70 CA2 (0.52) CA2CA1CA12CA9CA7
SCHEMBL9830556 0.68 CA1 (0.63) CA2CA1CA12CA9CA7
SCHEMBL8343036 0.68 CA1 (0.63) CA2CA1CA12CA9CA7
SCHEMBL6841898 0.67 CHRNA7 (0.59) CA2CA1CA12CA9CA7
SCHEMBL22816328 0.66 ESR2 (0.55) CA2CA1CA12CA9CA7

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-0291210-B1 ANTIARRHYTHMIC AGENTS Pfizer Limited (GB) 1991-11-06 EP disclosed
US-4835165-A Antiarrhythmic 4-phenylpiperidines PFIZER INC. (US) 1989-05-30 US disclosed
EP-0291210-A1 Antiarrhythmic agents Pfizer Limited (GB) 1988-11-17 EP disclosed