SCHEMBL3402914

SCHEMBL3402914

CN1CCN(C(=O)[C@@](I)(CNC(=O)c2ccc(Cl)s2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
F10 P00742 14/20 0.40
F2 P00734 7/20 0.39
F9 P00740 2/20 0.38
PLG P00747 2/20 0.38
PLAT P00750 2/20 0.38
KLKB1 P03952 2/20 0.38
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL3409439 0.80 F10 (0.43) LMNAF10F2TSHR
SCHEMBL1770395 0.76 F10 (0.53) MAPK1LMNAKMT2AF10F2
SCHEMBL20560085 0.76 F10 (0.53) MAPK1LMNAKMT2AF10F2
SCHEMBL17682014 0.72 MAPK1 (0.59) MAPK1LMNAKMT2AF10F2
SCHEMBL3405300 0.70 F2 (0.40) F10F2
SCHEMBL1770918 0.67 F10 (0.48) F10F2F9PLGPLAT
SCHEMBL16201598 0.67 LMNA (0.55) MAPK1LMNAKMT2AF10F2
SCHEMBL20615620 0.67 KDM4E (0.64) MAPK1LMNAKMT2AF10
Hydrochloric Acid SCHEMBL1770731 0.66 LMNA (0.54) MAPK1LMNAKMT2AF10F2
SCHEMBL5625418 0.66 MAPK1 (0.57) MAPK1LMNAKMT2AF10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254881-A1 CHLOROTHIOPHENE-AMIDES AS INHIBITORS OF COAGULATION FACTORS XA AND THROMBIN Sanofi-Aventis (FR) 2010-12-01 EP disclosed
WO-2009103440-A1 CHLOROTHIOPHENE-AMIDES AS INHIBITORS OF COAGULATION FACTORS XA AND THROMBIN SANOFI-AVENTIS (FR) 2009-08-27 WO disclosed