SCHEMBL7337500

SCHEMBL7337500

N=C(N)c1ccc2cc(/C(Br)=C/c3cccc(OC4CCCC4)c3)ccc2c1OC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 8/20 0.43
▸ PLG P00747 5/20 0.43
▸ PLAU P00749 5/20 0.43
▸ PLAT P00750 5/20 0.43
▸ PRSS1 P07477 4/20 0.43
▸ KLKB1 P03952 2/20 0.43
▸ KLK1 P06870 1/20 0.36
▸ F3 P13726 2/20 0.32
▸ OPRM1 P35372 1/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ F10 P00742 3/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ MEF2D Q14814 1/20 0.31
▸ MTNR1A P48039 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ PARP10 Q53GL7 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
SCHEMBL7402078 0.94 F2 (0.40) F2PLGPLAUPLATPRSS1
SCHEMBL7344312 0.91 F2 (0.44) F2PLGPLAUPLATPRSS1
Trifluoroacetic Acid SCHEMBL7337496 0.83 F2 (0.55) F2PLGPLAUPLATPRSS1
SCHEMBL7336369 0.80 PLAU (0.58) F2PLGPLAUPLATPRSS1
SCHEMBL7856137 0.79 PLAU (0.67) F2PLGPLAUPLATPRSS1
Trifluoroacetic Acid SCHEMBL7402075 0.79 F2 (0.53) F2PLGPLAUPLATPRSS1
SCHEMBL7336352 0.75 F2 (0.56) F2PLGPLAUPLATPRSS1
SCHEMBL7336349 0.75 F2 (0.56) F2PLGPLAUPLATPRSS1
Trifluoroacetic Acid SCHEMBL7344307 0.74 PLAU (0.56) F2PLGPLAUPLATPRSS1
SCHEMBL7499445 0.73 PLAU (0.35) F2PLGPLAUPLATPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6284796-B1 NAPHTHAMIDINE COMPOUNDS ABBOTT LABORATORIES 2001-09-04 — — US disclosed
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