SCHEMBL5779294

SCHEMBL5779294

Cc1onc(-c2ccccc2)c1-c1cc[c]cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.80
PTGS1 P23219 11/20 0.80
MT-CO2 P00403 3/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
LMNA P02545 1/20 0.58
CA3 P07451 1/20 0.58
ADRB2 P07550 1/20 0.58
ADRB1 P08588 1/20 0.58
CYP3A4 P08684 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
CHRM1 P11229 1/20 0.58
ADRA2B P18089 1/20 0.58
CA4 P22748 1/20 0.58
CA6 P23280 1/20 0.58
SLC6A2 P23975 1/20 0.58
PDE4A P27815 1/20 0.58
ADORA1 P30542 1/20 0.58
CA5A P35218 1/20 0.58

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
SCHEMBL28626658 0.98 PTGS2 (0.77) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL2277199 0.89 PTGS2 (1.00) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL25149515 0.83 PTGS2 (0.86) PTGS2PTGS1MT-CO2CA12CA1
Sulfamide SCHEMBL4638912 0.80 PTGS2 (0.81) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL4587731 0.80 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL5428698 0.80 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL6245202 0.80 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL14562098 0.80 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL5427092 0.80 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL5694188 0.80 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675585-A2 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER TANABE SEIYAKU CO., LTD. (JP) 2006-07-05 EP disclosed
WO-2005037271-A2 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER TANABE SEIYAKU CO., LTD. (JP) 2005-04-28 WO disclosed