SCHEMBL7353519

SCHEMBL7353519

CC(C)(C)N(Cc1ccc(C(=O)Nc2ccc3cc(C=NN)ccc3c2)cc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
ESRRG P62508 1/20 0.40
NR1H4 Q96RI1 6/20 0.39
EPHX2 P34913 1/20 0.39
PLAU P00749 4/20 0.38
PLG P00747 3/20 0.38
PLAT P00750 3/20 0.38
KLKB1 P03952 3/20 0.38
PRSS1 P07477 3/20 0.38
F2 P00734 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 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
SCHEMBL27570130 0.82 PLAU (0.56) NPC1RAB9AESRRGNR1H4PLAU
SCHEMBL7337293 0.81 PLAU (0.60) PLAUPLGPLATKLKB1PRSS1
Trifluoroacetic Acid SCHEMBL7334580 0.80 ESRRG (0.43) NPC1RAB9AESRRGPLAUPLG
Trifluoroacetic Acid SCHEMBL7334595 0.80 ESRRG (0.43) NPC1RAB9AESRRGPLAUPLG
Trifluoroacetic Acid SCHEMBL7335899 0.80 PLAU (0.49) NPC1RAB9AESRRGNR1H4PLAU
SCHEMBL7337469 0.79 PLAU (0.54) NPC1RAB9APLAUPLGKLKB1
Trifluoroacetic Acid SCHEMBL7856169 0.77 PLAU (0.54) PLAUPLGPLATKLKB1PRSS1
SCHEMBL7345579 0.76 PLAU (0.65) NPC1RAB9ANR1H4PLAUPLG
SCHEMBL17094907 0.76 POLB (0.58) NPC1RAB9AESRRGNR1H4EPHX2
SCHEMBL7343081 0.75 PLAU (0.67) NPC1RAB9ANR1H4PLAUPLG

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-6258822-B1 ENZYME INHIBITORS OF NAPHTHALENE AMIDINE COMPOUNDS ABBOTT LABORATORIES 2001-07-10 US disclosed