SCHEMBL9828873

SCHEMBL9828873

Cc1cnc(N2CCC(c3ccc(NS(C)(=O)=O)cc3)CC2)n1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
JAK2 O60674 4/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PTK2 Q05397 1/20 0.38
JAK3 P52333 1/20 0.37
GAA P10253 1/20 0.37
BRD4 O60885 4/20 0.36
TRIM24 O15164 1/20 0.36
PDE10A Q9Y233 1/20 0.36
PARP1 P09874 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
LTA4H P09960 1/20 0.35
SYK P43405 1/20 0.35
MAPK1 P28482 1/20 0.34
MET P08581 1/20 0.34

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
SCHEMBL10679776 0.83 FLT3 (0.46) ALDH1A1LMNAMAPTSMN1; SMN2JAK2
SCHEMBL9828971 0.81 CA2 (0.42) TP53PARP1GPR119
SCHEMBL9828877 0.80 JAK2 (0.39) ALDH1A1LMNATP53MAPTATM
SCHEMBL9829274 0.79 SLC18A3 (0.40) HRH3PARP1
SCHEMBL9828313 0.77 JAK2 (0.47) ALDH1A1LMNATP53MAPTATM
SCHEMBL9828240 0.76 SLC18A3 (0.45) ALDH1A1LMNAMAPTHRH3GAA
SCHEMBL319380 0.73 KEAP1 (0.52) ALDH1A1LMNATP53MAPTATM
SCHEMBL22324953 0.73 ROCK2 (0.40) ALDH1A1LMNATP53MAPTATM
SCHEMBL26154175 0.70 ALDH1A1 (0.56) ALDH1A1LMNATP53MAPTATM
SCHEMBL20354737 0.70 IDO1 (0.48) ALDH1A1LMNATP53MAPTATM

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