SCHEMBL8023719

SCHEMBL8023719

O=C(O)c1sc2cc(OCc3cccnc3)ccc2c1Sc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.48
F10 P00742 1/20 0.48
EDNRA P25101 2/20 0.47
MMP13 P45452 4/20 0.42
MAPK1 P28482 2/20 0.42
MMP2 P08253 1/20 0.42
GPR132 Q9UNW8 7/20 0.41
CMKLR2 P46091 1/20 0.41
CMKLR1 Q99788 1/20 0.41
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 1/20 0.41
PRKAA1 Q13131 1/20 0.41
PRKAG3 Q9UGI9 1/20 0.41
PRKAG2 Q9UGJ0 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL8024562 0.89 MMP13 (0.46) F9F10MMP13MEN1KMT2A
SCHEMBL8020338 0.83 F9 (0.41) F9F10EDNRAMMP13GPR132
SCHEMBL7244247 0.79 F9 (0.46) F9F10EDNRAMAPK1GPR132
SCHEMBL8023446 0.78 NMT1 (0.48) EDNRAMEN1KMT2A
SCHEMBL8027254 0.78 MMP13 (0.44) F9F10MMP13MEN1KMT2A
SCHEMBL8024355 0.77 F9 (0.44) F9F10MMP13MAPK1MEN1
SCHEMBL10953368 0.75 F9 (0.51) F9F10GPR132
SCHEMBL8021028 0.75 F9 (0.43) F9F10EDNRAGPR132CMKLR2
SCHEMBL8024350 0.74 HPGD (0.55) F9F10MAPK1GPR132KMT2A
SCHEMBL8024530 0.74 F9 (0.48) F9F10MMP13GPR132MEN1

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