SCHEMBL7336089

SCHEMBL7336089

COc1ccc2cc(/C=C(\Cl)c3ccccc3)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.59
CYP1A2 P05177 1/20 0.49
CYP2A6 P11509 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
BCHE P06276 2/20 0.47
RELA Q04206 2/20 0.47
CYP3A4 P08684 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
NQO2 P16083 2/20 0.46
TRPA1 O75762 1/20 0.46
MAOB P27338 2/20 0.46
KDM4E B2RXH2 2/20 0.45
ABCG2 Q9UNQ0 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL7343141 1.00 PLAU (0.59) PLAUCYP1A2CYP2A6ALDH1A1MEN1
SCHEMBL8845672 0.85 MAPT (0.55) PLAUCYP1A2ALDH1A1MEN1KMT2A
SCHEMBL8845678 0.85 MAPT (0.55) PLAUCYP1A2ALDH1A1MEN1KMT2A
SCHEMBL7335620 0.85 KDM4E (0.53) PLAUCYP1A2CYP2A6ALDH1A1MEN1
SCHEMBL7334384 0.85 PLAU (0.44) PLAUCYP1A2CYP2A6ALDH1A1MEN1
SCHEMBL7334386 0.85 PLAU (0.44) PLAUCYP1A2CYP2A6ALDH1A1MEN1
SCHEMBL7345665 0.80 RELA (0.49) CYP1A2CYP2A6ALDH1A1RELANQO2
SCHEMBL7334943 0.80 PLAU (0.64) PLAUCYP1A2MEN1KMT2ARELA
SCHEMBL7334938 0.80 PLAU (0.64) PLAUCYP1A2MEN1KMT2ARELA
SCHEMBL8916304 0.79 ALDH1A1 (0.55) PLAUALDH1A1MEN1KMT2ABCHE

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