SCHEMBL8021028

SCHEMBL8021028

O=C(O)c1sc2cc(OCc3cccnc3)ccc2c1[S+]([O-])c1ccccc1CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.43
F10 P00742 1/20 0.43
EDNRA P25101 1/20 0.39
ACHE P22303 2/20 0.39
MAOB P27338 2/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
GPR132 Q9UNW8 8/20 0.38
BCHE P06276 1/20 0.37
MAOA P21397 1/20 0.37
CMKLR2 P46091 1/20 0.37
CMKLR1 Q99788 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL8327453 0.90 F9 (0.41) F9F10EDNRAGPR132MAOA
SCHEMBL8023432 0.83 F9 (0.39) F9F10GPR132MAOAKDM4E
SCHEMBL8010359 0.80 MMP13 (0.43) F9F10GPR132MAOAKDM4E
SCHEMBL8023719 0.75 F9 (0.48) F9F10EDNRAPRKAB2PRKAG1
SCHEMBL8027223 0.72 EDNRA (0.44) F9F10EDNRAGPR132CMKLR2
SCHEMBL8027254 0.72 MMP13 (0.44) F9F10ACHEMAOBBCHE
SCHEMBL8024530 0.70 F9 (0.48) F9F10GPR132KDM4EALDH1A1
SCHEMBL10953368 0.69 F9 (0.51) F9F10GPR132MAOACYP1A2
SCHEMBL8021827 0.69 KMT2A (0.45) EDNRAMAOBALDH1A1HPGD
SCHEMBL8010798 0.69 HPGD (0.53) F9F10MAOAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6040309-A ACTIVE MATERIAL TREATING OF RESTENOSIS, RENAL FAILURE, PULMONARY HYPERTENSION, BENIGN PROSTATIC HYPERTROPHY, MALE ERECTILE DYSFUNCTION, CONGESTIVE HEART FAILURE, STROKE, ANGINA, ATHEROSCLEROSIS, CEREBRAL AND CARDIAC ISCHAEMIA PFIZER, INC. (US) 2000-03-21 US disclosed