SCHEMBL5151701

SCHEMBL5151701

CNS(=O)(=O)c1cc(NC(=O)NC(C)C)ccc1Oc1ccc(N)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 9/20 0.48
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
MMP2 P08253 1/20 0.42
GHSR Q92847 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
P2RX4 Q99571 2/20 0.39
MAPK14 Q16539 1/20 0.39
MCL1 Q07820 1/20 0.38

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
SCHEMBL5169607 0.89 TBXA2R (0.50) TBXA2RCA12CA1CA2CA9
SCHEMBL5148208 0.86 KCNJ6 (0.48) TBXA2RCA12CA1CA2CA9
SCHEMBL5181890 0.81 PNLIP (0.55)
SCHEMBL4232176 0.81 FPR2 (0.46)
SCHEMBL5149668 0.80 BRAF (0.49) CA12CA1CA2CA9MMP2
SCHEMBL4684325 0.80 MAPK1 (0.43) TBXA2RCA12CA1CA2CA9
SCHEMBL5180344 0.79 MMP2 (0.42) CA12CA1CA2CA9MMP2
SCHEMBL13699200 0.79 MAPK1 (0.42) CA12CA1CA2CA9MMP2
SCHEMBL4234256 0.78 MAPK1 (0.56) CA12CA1CA2CA9MMP2
SCHEMBL5179974 0.78 ALDH1A1 (0.46) TBXA2R

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
WO-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed