SCHEMBL9715425

SCHEMBL9715425

CS(=O)(=O)Nc1ccc2c(c1)CCCC2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.60
MAOA P21397 3/20 0.50
MAOB P27338 3/20 0.50
PRKCI P41743 1/20 0.50
LMNA P02545 3/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
THRB P10828 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.46
HSD17B1 P14061 1/20 0.45
BRD4 O60885 1/20 0.45
TDP2 O95551 1/20 0.45
CYP2A6 P11509 1/20 0.43
GRM5 P41594 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL1091899 0.90 PTGS2 (0.48) BAZ2BGAAHPGDMAPK1TDP2
SCHEMBL9591484 0.89 MET (0.47) BAZ2BMAOAMAOBLMNAALDH1A1
SCHEMBL1091569 0.85 TDP2 (0.61) BAZ2BHSD17B1BRD4TDP2
SCHEMBL18422825 0.83 LMNA (0.64) LMNAALDH1A1SMN1; SMN2THRBL3MBTL1
SCHEMBL30023674 0.83 LMNA (0.64) LMNAALDH1A1SMN1; SMN2THRBL3MBTL1
SCHEMBL8310779 0.80 BAZ2B (0.67) BAZ2BMAOAMAOBPRKCIMAPK1
SCHEMBL15220226 0.80 LMNA (0.59) LMNAALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL3898623 0.80 HTR6 (0.56) BAZ2BMAOAMAOBLMNAALDH1A1
SCHEMBL30612414 0.75 BAZ2B (1.00) BAZ2BMAOAMAOBPRKCIALDH1A1
SCHEMBL315269 0.75 BAZ2B (1.00) BAZ2BMAOAMAOBPRKCIALDH1A1

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-5140040-A Alpha-2-adrenergic receptor antagonist; glaucoma; congestive heart failure; hypotensive agents; headaches; metabolic disorders (diabetes, obesity) ABBOTT LABORATORIES (US) 1992-08-18 US disclosed
US-5128362-A Antidepressant, antiglaucoma ABBOTT LABORATORIES (US) 1992-07-07 US disclosed
US-5086074-A Selective adrenergic receptor antagonists ABBOTT LABORATORIES (US) 1992-02-04 US disclosed