SCHEMBL7345962

SCHEMBL7345962

COC(=O)Nc1cc(C(=O)OC)cc2ccc(C#N)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 4/20 0.46
NAMPT P43490 1/20 0.41
LCK P06239 1/20 0.41
POLB P06746 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PTPN11 Q06124 2/20 0.40
NCEH1 Q6PIU2 2/20 0.39
EGLN2 Q96KS0 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
KLKB1 P03952 1/20 0.38
PRSS1 P07477 1/20 0.38
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 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
SCHEMBL7386444 0.90 PLAU (0.41) PLAUPOLBRXFP1NCEH1EGLN2
SCHEMBL5776609 0.80 PLAU (0.46) PLAUNAMPTLCKPOLBRXFP1
SCHEMBL5775744 0.80 NCEH1 (0.47) PLAUNAMPTLCKPOLBRXFP1
SCHEMBL5777843 0.80 PLAU (0.46) PLAUNAMPTLCKPOLBRXFP1
SCHEMBL8312949 0.77 NCEH1 (0.44) PLAUNAMPTLCKPOLBRXFP1
SCHEMBL5566033 0.76 PLAU (0.64) PLAUNAMPTLCKPOLBRXFP1
SCHEMBL23619741 0.76 TRPV4 (0.43) PLAUNAMPTLCKPOLBRXFP1
SCHEMBL5566965 0.76 VCAM1 (0.45) PLAULCKPOLBRXFP1NCEH1
SCHEMBL30812891 0.76 TRPV4 (0.43) PLAUNAMPTLCKPOLBRXFP1
SCHEMBL3558563 0.75 PLAU (0.59) PLAUNAMPTLCKPOLBRXFP1

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