SCHEMBL7074794

SCHEMBL7074794

Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C(=N)N)cc3)CC2)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
ATM Q13315 1/20 0.55
F2 P00734 2/20 0.52
PRSS1 P07477 2/20 0.52
PRSS2 P07478 2/20 0.52
PRSS3 P35030 2/20 0.52
TMPRSS6 Q8IU80 2/20 0.52
ST14 Q9Y5Y6 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 2/20 0.49
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
MAPT P10636 5/20 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 0.85 HSD11B1 (0.61) MEN1KMT2AATMF2PRSS1
SCHEMBL7077254 0.85 F10 (0.66) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL7074052 0.84 F10 (0.56) MEN1KMT2AF2PRSS1PRSS2
SCHEMBL7069367 0.82 F2 (0.54) MEN1KMT2AF2PRSS1PRSS2
Acetic Acid SCHEMBL27525160 0.82 F10 (0.62) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL7071453 0.81 F10 (0.58) MEN1KMT2AATMF2PRSS1
SCHEMBL7073684 0.81 F2 (0.55) MEN1KMT2AF2PRSS1PRSS2
SCHEMBL7074604 0.80 SMN1; SMN2 (0.76) MEN1KMT2AF2PRSS1PRSS2
SCHEMBL7074639 0.79 ALDH1A1 (0.55) F2PRSS1SMN1; SMN2LMNAALDH1A1
SCHEMBL7072180 0.78 ITGB3 (0.56) MEN1KMT2AF2PRSS1PRSS2

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