SCHEMBL3694007

SCHEMBL3694007

Cc1sc(S(N)(=O)=O)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 14/20 0.39
CA1 P00915 11/20 0.39
CA9 Q16790 10/20 0.39
LDHA P00338 1/20 0.38
CA12 O43570 9/20 0.38
CA7 P43166 4/20 0.38
CA6 P23280 4/20 0.38
CA4 P22748 4/20 0.38
CA5A P35218 3/20 0.38
CA5B Q9Y2D0 3/20 0.38
CA14 Q9ULX7 3/20 0.38
CA3 P07451 2/20 0.38
PLA2G7 Q13093 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
CYP2C9 P11712 1/20 0.34
CDK2 P24941 1/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34
ENPP3 O14638 1/20 0.34

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
SCHEMBL120570 0.74 CYP1A2 (0.47)
SCHEMBL1575935 0.72 HSD11B1 (0.44) CA2CA1CA9CA12CA7
SCHEMBL7371055 0.71 SMN1; SMN2 (0.35) CYP2C9
SCHEMBL6798951 0.71 ACLY (0.44) CA2CA1CA9CA12CA7
SCHEMBL13780496 0.67 CYP1A2 (0.41)
SCHEMBL10204130 0.66 CA12 (0.32) CA2CA1CA9CA12CA7
SCHEMBL10371680 0.64 CA2 (0.50) CA2CA1CA9LDHACA12
SCHEMBL17448391 0.64 CYP1A2 (0.38)
SCHEMBL14584177 0.64 CYP1A2 (0.38)
SCHEMBL250355 0.64 SMN1; SMN2 (0.44) LDHAPOLB

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-2148673-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA Eisai R&D Management Co., Ltd. (JP) 2010-02-03 EP disclosed
WO-2008139984-A1 CINNAMIDE COMPOUNDS FOR DEMENTIA EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-11-20 WO disclosed