SCHEMBL6300757

SCHEMBL6300757

N=C(N)c1ccc2cc(Oc3ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)cc3-c3ccccc3C(=O)O)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 4/20 0.44
CCR1 P32246 2/20 0.44
CCR2 P41597 2/20 0.44
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
ST14 Q9Y5Y6 2/20 0.43
F10 P00742 1/20 0.43
MCL1 Q07820 1/20 0.42
ENPP3 O14638 1/20 0.42
ENPP1 P22413 1/20 0.42
AR P10275 1/20 0.41
F2 P00734 1/20 0.41
TMPRSS6 Q8IU80 2/20 0.41
ACLY P53396 1/20 0.41
AVPR2 P30518 1/20 0.41
GPR27 Q9NS67 1/20 0.41
BRAF P15056 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40

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 SCHEMBL7157714 0.98 PLA2G7 (0.42) PLA2G7CCR1CCR2PRSS1PRSS2
SCHEMBL6295821 0.92 PLA2G7 (0.44) PLA2G7PRSS1PRSS2PRSS3ST14
Trifluoroacetic Acid SCHEMBL7154045 0.92 PLA2G7 (0.43) PLA2G7PRSS1PRSS2PRSS3ST14
Trifluoroacetic Acid SCHEMBL7158713 0.91 F2 (0.48) PLA2G7PRSS1PRSS2PRSS3ST14
Trifluoroacetic Acid SCHEMBL7158686 0.90 F2 (0.45) PLA2G7PRSS1PRSS2PRSS3ST14
Trifluoroacetic Acid SCHEMBL7158329 0.90 PLA2G7 (0.42) PLA2G7PRSS1PRSS2PRSS3ST14
Trifluoroacetic Acid SCHEMBL7157101 0.90 PLA2G7 (0.44) PLA2G7PRSS1PRSS2PRSS3ST14
SCHEMBL6295817 0.90 PLA2G7 (0.46) PLA2G7PRSS1PRSS2PRSS3ST14
Trifluoroacetic Acid SCHEMBL7156270 0.89 PLA2G7 (0.55) PLA2G7F10F2TMPRSS6ALOX15
Trifluoroacetic Acid SCHEMBL6294978 0.88 F2 (0.49) PLA2G7PRSS1PRSS2PRSS3ST14

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