SCHEMBL7074052

SCHEMBL7074052

N=C(N)c1ccc(N2CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.56
F2 P00734 2/20 0.50
PRSS1 P07477 2/20 0.50
PRSS2 P07478 2/20 0.50
PRSS3 P35030 2/20 0.50
TMPRSS6 Q8IU80 2/20 0.50
ST14 Q9Y5Y6 2/20 0.50
HSD11B1 P28845 1/20 0.48
LMNA P02545 3/20 0.47
GAA P10253 2/20 0.47
THRB P10828 1/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
PTPN11 Q06124 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL7071453 0.88 F10 (0.58) F10F2PRSS1PRSS2PRSS3
SCHEMBL7077182 0.88 HSD11B1 (0.61) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL6737341 0.85 F10 (0.77) F10
Hydrochloric Acid SCHEMBL5733561 0.84 F10 (0.75) F10
SCHEMBL7075145 0.84 F10 (0.54) F10LMNASMN1; SMN2ALDH1A1
SCHEMBL7074794 0.84 MEN1 (0.57) F10F2PRSS1PRSS2PRSS3
Acetic Acid SCHEMBL27550413 0.82 F10 (0.71) F10F2
SCHEMBL7651047 0.81 F10 (0.58) F10LMNAGAATHRBPTPN11
SCHEMBL7387918 0.81 F10 (0.44) F10F2PRSS1PRSS2PRSS3
Acetic Acid SCHEMBL27568116 0.80 F10 (0.52) F10LMNASMN1; SMN2ALDH1A1

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