SCHEMBL7088998

SCHEMBL7088998

CS(=O)(=O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)Nc2cccc(Cl)c2)ccc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
FPR2 P25090 3/20 0.49
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
F10 P00742 2/20 0.46
HDAC8 Q9BY41 1/20 0.46
IDH2 P48735 1/20 0.45
IDO1 P14902 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6378918 0.93 F10 (0.53) MAPK1FPR2CA12CA1CA2
SCHEMBL6374816 0.93 F10 (0.53) MAPK1FPR2CA12CA1CA2
SCHEMBL6374808 0.93 F10 (0.53) MAPK1FPR2CA12CA1CA2
SCHEMBL7142205 0.84 FPR2 (0.60) FPR2CA12CA1CA2CA9
SCHEMBL6374977 0.84 F10 (0.52) FPR2CA12CA1CA2CA9
SCHEMBL6379420 0.84 F10 (0.52) FPR2CA12CA1CA2CA9
SCHEMBL6374974 0.84 F10 (0.52) FPR2CA12CA1CA2CA9
SCHEMBL7090968 0.84 FPR2 (0.48) FPR2F10
SCHEMBL6374070 0.83 F10 (0.55) FPR2CA12CA1CA2CA9
SCHEMBL6374074 0.83 F10 (0.55) FPR2CA12CA1CA2CA9

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-1341755-A1 CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS MERCK PATENT GmbH (DE) 2003-09-10 EP disclosed
WO-2002048099-A1 CARBOXYLIC ACID AMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMOURS MERCK PATENT GMBH (DE) 2002-06-20 WO disclosed