SCHEMBL7069367

SCHEMBL7069367

CC(C)c1ccc(S(=O)(=O)N2CCN(c3ccc(C(=N)N)cc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.54
PRSS1 P07477 2/20 0.54
PRSS2 P07478 2/20 0.54
PRSS3 P35030 2/20 0.54
TMPRSS6 Q8IU80 2/20 0.54
ST14 Q9Y5Y6 2/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 3/20 0.50
TSHR P16473 2/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
MCOLN3 Q8TDD5 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TP53 P04637 1/20 0.48

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
SCHEMBL7077182 0.86 HSD11B1 (0.61) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7126859 0.84 ALDH1A1 (0.62) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL7074604 0.83 SMN1; SMN2 (0.76) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7074514 0.82 TP53 (0.53) MEN1KMT2ALMNASMN1; SMN2TP53
SCHEMBL7074794 0.82 MEN1 (0.57) F2PRSS1PRSS2PRSS3TMPRSS6
Acetic Acid SCHEMBL27525154 0.81 ALDH1A1 (0.59) MEN1KMT2ALMNATSHRSMN1; SMN2
SCHEMBL7072180 0.81 ITGB3 (0.56) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7071453 0.80 F10 (0.58) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7387792 0.79 F10 (0.46) F2PRSS1PRSS2PRSS3MEN1
Acetic Acid SCHEMBL27530353 0.79 MEN1 (0.53) MEN1KMT2ALMNASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1025086-B1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-06-25 EP disclosed
US-6492368-B1 Benzamidine derivatives as factor XA inhibitors MERCK PATENT GMBH (DE) 2002-12-10 US disclosed
EP-1025086-A1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GmbH (DE) 2000-08-09 EP disclosed
WO-1999016751-A1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 1999-04-08 WO disclosed