SCHEMBL6184792

SCHEMBL6184792

Cc1cc(-c2ccccc2-c2ccnc(-c3cccc(/C=N\N)c3)c2C(N)=O)c(S(N)(=O)=O)s1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.32
F10 P00742 3/20 0.31
F2 P00734 2/20 0.31
PRSS1 P07477 2/20 0.31
PRSS2 P07478 2/20 0.31
PRSS3 P35030 2/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA9 Q16790 3/20 0.31
CA12 O43570 2/20 0.31
CA7 P43166 1/20 0.31
HPGD P15428 2/20 0.31
LMNA P02545 1/20 0.31
SCN9A Q15858 1/20 0.31
JAK3 P52333 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
CTSA P10619 1/20 0.30
CCNE2 O96020 1/20 0.30

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
SCHEMBL6166463 0.93 F10 (0.31) JAK2F10F2PRSS1PRSS2
SCHEMBL6184793 0.84 LMNA (0.33) JAK2F10F2PRSS1PRSS2
SCHEMBL6163106 0.78 ALOX5AP (0.40) F10F2PRSS1PRSS2PRSS3
SCHEMBL6166467 0.75 F10 (0.51) F10F2PRSS1PRSS2PRSS3
SCHEMBL6164018 0.75 CDC7 (0.37) F10SCN9AJAK3KDM4ECTSA
SCHEMBL6164851 0.71 RPS6KA5 (0.31) JAK3CTSA
SCHEMBL6185405 0.70 CDC7 (0.37) HPGDLMNASCN9AJAK3KDM4E
SCHEMBL7103088 0.67 CTSA (0.35) JAK2F10HPGDLMNAJAK3
SCHEMBL6185417 0.67 CDC7 (0.36) F10SCN9AJAK3KDM4ECTSA
SCHEMBL7103093 0.64 PSEN1 (0.44) F10F2PRSS1PRSS2PRSS3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO disclosed