SCHEMBL7152737

SCHEMBL7152737

CS(=O)(=O)Nc1ccc(Oc2ccc(C(=N)N)cc2)c(C(=O)OC(=O)C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.46
SLC6A4 P31645 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MRGPRX1 Q96LB2 7/20 0.42
BRD4 O60885 1/20 0.41
F2 P00734 3/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
ST14 Q9Y5Y6 2/20 0.40
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
PLG P00747 1/20 0.39
KIF11 P52732 1/20 0.37
CHEK2 O96017 1/20 0.37

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
SCHEMBL6300848 0.93 F10 (0.47) F10SLC6A4SLC6A2SLC6A3MRGPRX1
Trifluoroacetic Acid SCHEMBL7152732 0.86 F10 (0.47) F10SLC6A4SLC6A2SLC6A3MRGPRX1
SCHEMBL7156678 0.84 PRSS1 (0.59) F10MRGPRX1F2PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL7154799 0.83 F10 (0.49) F10SLC6A4SLC6A2SLC6A3MRGPRX1
SCHEMBL6300739 0.82 F10 (0.45) F10BRD4F2PRSS1PRSS2
SCHEMBL7153138 0.79 PRSS1 (0.38) F10MRGPRX1F2PRSS1PRSS2
Trifluoroacetic Acid SCHEMBL6300672 0.79 F10 (0.48) F10F2
Trifluoroacetic Acid SCHEMBL7153335 0.77 BRD4 (0.51) F10SLC6A4SLC6A2SLC6A3MRGPRX1
SCHEMBL7157238 0.76 PGR (0.41) F10MRGPRX1
SCHEMBL8506821 0.76 F10 (0.52) F10MRGPRX1BRD4F2PRSS1

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-1312602-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them Eisai Co., Ltd. (JP) 2003-05-21 EP disclosed