SCHEMBL9828877

SCHEMBL9828877

Cn1ccnc1N1CCC(c2ccc(NS(C)(=O)=O)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.39
JAK3 P52333 5/20 0.39
HDAC1 Q13547 1/20 0.37
ALDH1A1 P00352 3/20 0.36
PTK2 Q05397 4/20 0.36
PDE10A Q9Y233 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
LTA4H P09960 1/20 0.36
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL10677172 0.83 JAK2 (0.47) JAK2JAK3HDAC1ALDH1A1PTK2
SCHEMBL9828873 0.80 ALDH1A1 (0.40) JAK2JAK3ALDH1A1PTK2PDE10A
SCHEMBL9829198 0.78 SLC18A3 (0.40) ALDH1A1MAPTADRA1AKMT2AGAA
SCHEMBL9828313 0.78 JAK2 (0.47) JAK2JAK3HDAC1ALDH1A1SMN1; SMN2
SCHEMBL9827933 0.76 SLC18A3 (0.46) ALDH1A1HRH3LMNAMAPTMEN1
SCHEMBL10577832 0.74 GRIN2B (0.43) HDAC1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL10579790 0.74 ADRB2 (0.47) LMNAMEN1KMT2AGAA
SCHEMBL319380 0.74 KEAP1 (0.52) ALDH1A1HRH3SMN1; SMN2LMNATP53
SCHEMBL22324953 0.71 ROCK2 (0.40) JAK2JAK3HDAC1ALDH1A1PTK2
SCHEMBL26154175 0.71 ALDH1A1 (0.56) ALDH1A1HRH3SMN1; SMN2LMNATP53

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