SCHEMBL6737821

SCHEMBL6737821

Nc1c[c]cc(C(=O)NC(=O)c2ccccc2C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.51
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
KCNK3 O14649 3/20 0.45
KCNK9 Q9NPC2 3/20 0.45
PPIA P62937 1/20 0.43
NPC1 O15118 1/20 0.43
CRHBP P24387 1/20 0.43
RAB9A P51151 1/20 0.43
CRHR2 Q13324 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
PTPRC P08575 1/20 0.40
RECQL P46063 1/20 0.39
F2R P25116 1/20 0.39
ABL1 P00519 1/20 0.38
SRC P12931 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL6744941 0.80 POLB (0.46) LMNAGAAKCNK3KCNK9PPIA
SCHEMBL7111851 0.78 PTGS1 (0.56) PTGS1LMNAGAAKCNK3RAB9A
SCHEMBL5847010 0.78 EPHX2 (0.56)
SCHEMBL5846937 0.73 RAB9A (0.45) GAANPC1RAB9AHDAC3HDAC1
SCHEMBL6740704 0.73 HDAC1 (0.51) KCNK3KCNK9NPC1RAB9AHDAC1
SCHEMBL961793 0.73 LMNA (0.66) PTGS1LMNAGAAKCNK3KCNK9
SCHEMBL5846615 0.72 CTSD (0.45) LMNAGAAHDAC3HDAC1ALDH1A1
SCHEMBL5846767 0.71 HDAC6 (0.47) LMNAGAAKCNK3KCNK9NPC1
SCHEMBL7001833 0.71 LMNA (0.68) PTGS1LMNAGAAKCNK3KCNK9
SCHEMBL7114643 0.71 OGG1 (0.47) LMNAGAANPC1RAB9AABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6686484-B2 ANTICOAGULANTS; SERINE PROTEASE INHIBITOR PHARMACIA CORPORATION 2004-02-03 US claimed
EP-1351686-A2 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDINES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-10-15 EP claimed
WO-2002042272-A2 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDINES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2002-05-30 WO claimed
EP-1351686-A2 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDINES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2003-10-15 EP disclosed
WO-2002042272-A2 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDINES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2002-05-30 WO disclosed