SCHEMBL7499445

SCHEMBL7499445

N=C(N)c1ccc2cc(/C(=C\c3ccccc3)c3ccccc3)ccc2c1OC(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 10/20 0.35
PLG P00747 6/20 0.35
KLK1 P06870 6/20 0.35
PLAT P00750 5/20 0.35
PTGS2 P35354 2/20 0.33
ESR1 P03372 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
F2 P00734 2/20 0.32
PRSS1 P07477 2/20 0.32
PLA2G2D Q9UNK4 1/20 0.32
KLKB1 P03952 1/20 0.32
CYP19A1 P11511 1/20 0.30
CYP11B2 P19099 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL7340245 0.88 PLAU (0.44) PLAUPLGKLK1PLATCYP1A1
SCHEMBL7336146 0.83 PLAU (0.46) PLAUPLGKLK1PLATCYP1A1
SCHEMBL7345650 0.79 F9 (0.40) PLAUPLGESR1F2PRSS1
SCHEMBL7337460 0.79 PLAU (0.32) PLAUALDH1A1MAPT
SCHEMBL7335067 0.76 ASIC3 (0.46) PLAUCYP1A1CYP1B1PLA2G2D
SCHEMBL7342370 0.76 PLAU (0.46) PLAUPLGKLK1PLATCYP1A1
SCHEMBL7335720 0.76 PLG (0.34) PLAUPLGKLK1PLATCYP1A1
SCHEMBL7337120 0.75 PLAU (0.48) PLAUPLGKLK1PLAT
SCHEMBL7344312 0.74 F2 (0.44) PLAUPLGKLK1PLATF2
SCHEMBL7336015 0.74 PLAU (0.34) PLAUPLGKLK1PLATF2

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-1000018-A2 UROKINASE INHIBITORS Abbott Laboratories (US) 2000-05-17 EP disclosed
WO-1999005096-A2 UROKINASE INHIBITORS ABBOTT LABORATORIES (US) 1999-02-04 WO disclosed