SCHEMBL12698762

SCHEMBL12698762

CC1CCCN(c2cc(Nc3ccc(C(=O)O)cc3)c3c4c(onc24)-c2ccccc2C3=O)C1

nearest known ligand 0.86

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLAUR Q03405 11/20 0.86
NTRK1 P04629 1/20 0.73
PLAU P00749 1/20 0.67
EHMT2 Q96KQ7 4/20 0.57
GSK3B P49841 1/20 0.56
MAPT P10636 1/20 0.52
ADORA1 P30542 1/20 0.51

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
SCHEMBL16622147 0.85 NTRK1 (0.90) PLAURNTRK1PLAUEHMT2GSK3B
SCHEMBL13284987 0.84 NTRK1 (1.00) PLAURNTRK1PLAUEHMT2GSK3B
SCHEMBL20224677 0.83 PLAUR (0.72) PLAURNTRK1PLAUEHMT2GSK3B
SCHEMBL18486769 0.83 PLAUR (0.72) PLAURNTRK1PLAUEHMT2GSK3B
SCHEMBL13284995 0.83 NTRK1 (0.86) PLAURNTRK1PLAUEHMT2GSK3B
SCHEMBL12698763 0.83 PLAUR (1.00) PLAURNTRK1PLAUEHMT2GSK3B
SCHEMBL17874501 0.82 PLAUR (0.82) PLAURNTRK1PLAUEHMT2MAPT
SCHEMBL30019219 0.80 PLAU (1.00) PLAURNTRK1PLAUEHMT2GSK3B
SCHEMBL12499325 0.80 PLAU (1.00) PLAURNTRK1PLAUEHMT2GSK3B
SCHEMBL17874500 0.80 PLAU (0.81) PLAURNTRK1PLAUEHMT2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376406-B2 uPAR-uPA interaction inhibitors and methods for treating cancer INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-06-28 US disclosed
US-9376406-B2 uPAR-uPA interaction inhibitors and methods for treating cancer INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-06-28 US disclosed
WO-2012119079-A1 uPAR-uPA INTERACTION INHIBITORS AND METHODS FOR TREATING CANCER INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2012-09-07 WO disclosed