SCHEMBL6300651

SCHEMBL6300651

N=C(N)c1ccc2cc(Oc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3-c3cc4ccccc4cc3C(=O)O)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.51
PRSS2 P07478 4/20 0.51
PRSS3 P35030 4/20 0.51
ST14 Q9Y5Y6 4/20 0.51
F2 P00734 3/20 0.51
PLA2G7 Q13093 4/20 0.49
MRGPRX1 Q96LB2 1/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
PTPN1 P18031 1/20 0.45
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
MCL1 Q07820 1/20 0.43
F10 P00742 2/20 0.43

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
Trifluoroacetic Acid SCHEMBL7155325 0.96 F2 (0.47) PRSS1PRSS2PRSS3ST14F2
SCHEMBL6294700 0.93 PRSS1 (0.55) PRSS1PRSS2PRSS3ST14F2
SCHEMBL6294964 0.92 F2 (0.48) PRSS1PRSS2PRSS3ST14F2
Trifluoroacetic Acid SCHEMBL7151193 0.90 PRSS1 (0.51) PRSS1PRSS2PRSS3ST14F2
Trifluoroacetic Acid SCHEMBL7154778 0.89 PLA2G7 (0.46) PRSS1PRSS2PRSS3ST14F2
SCHEMBL7155329 0.89 F2 (0.47) PRSS1PRSS2PRSS3ST14F2
Trifluoroacetic Acid SCHEMBL7158713 0.89 F2 (0.48) PRSS1PRSS2PRSS3ST14F2
SCHEMBL6295817 0.84 PLA2G7 (0.46) PRSS1PRSS2PRSS3ST14F2
Trifluoroacetic Acid SCHEMBL7158701 0.84 F2 (0.53) PRSS1PRSS2PRSS3ST14F2
SCHEMBL6295821 0.84 PLA2G7 (0.44) PRSS1PRSS2PRSS3ST14F2

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
US-6916837-B2 Amidino derivatives and anticoagulants and thrombosis therapeutic agents containing them EISAI CO., LTD. (JP) 2005-07-12 US disclosed