SCHEMBL9568055

SCHEMBL9568055

COc1ccc(CSc2sccc2Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
FFAR1 O14842 1/20 0.44
MAOB P27338 3/20 0.43
MAOA P21397 2/20 0.43
TP53 P04637 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
KMT2A Q03164 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IDO1 P14902 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2E1 P05181 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
SCHEMBL9431323 0.78 FFAR1 (0.44) APPCA12CA1CA2CA9
SCHEMBL9829539 0.76 FBP1 (0.44) CA12CA1CA2CA9NPC1
SCHEMBL19297784 0.71 APP (0.49) APPCA12CA1CA2CA9
SCHEMBL31011604 0.71 APP (0.49) APPCA12CA1CA2CA9
SCHEMBL3228582 0.70 APP (0.82) APPCA12CA1CA2CA9
SCHEMBL25215799 0.70 FFAR1 (0.51) APPCA12CA1CA2CA9
SCHEMBL9432320 0.69 FFAR1 (0.47) APPCA12CA1CA2CA9
SCHEMBL10687383 0.69 APP (0.58) APPCA12CA1CA2CA9
SCHEMBL29560732 0.68 APP (0.45) APPCA12CA1CA2CA9
SCHEMBL29699745 0.68 MAOB (0.57) APPCA12CA1CA2CA9

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
EP-0568289-A2 Benzothiophenes and thienothiophenes and related compounds useful, for example, as urokinase inhibitors Eisai Co., Ltd. (JP) 1993-11-03 EP disclosed