SCHEMBL7965437

SCHEMBL7965437

CCOC(=O)C1=C(C)c2c(C)c3c(cc2=N1)C=C(C(=O)OC)N=3

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
GAA P10253 2/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ADORA1 P30542 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE1C Q14123 1/20 0.32
PDE3A Q14432 1/20 0.32
RAB9A P51151 2/20 0.31
ALOX15 P16050 1/20 0.31
THRB P10828 1/20 0.31
SLC2A1 P11166 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31

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
SCHEMBL7968891 0.85 RAB9A (0.40) GAAALDH1A1MEN1KMT2AMAPT
SCHEMBL1388445 0.70 CA12 (0.37) KDM4EGAAHTTALDH1A1MEN1
SCHEMBL8911562 0.70 POLB (0.40) KDM4EGAAHTTALDH1A1MAPT
SCHEMBL8909629 0.69 CA12 (0.39) KDM4EGAAHTTALDH1A1MEN1
SCHEMBL8910230 0.66 GABRA1 (0.38) KDM4EGAAALDH1A1KMT2AMAPT
SCHEMBL8910142 0.66 GAA (0.33) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL28328600 0.58 CYP2C19 (0.75) KDM4EALDH1A1KMT2AMAPTCYP2C9
SCHEMBL844149 0.58 CYP3A4 (0.49) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL16175866 0.58 KDM4E (0.68) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL4444431 0.58 CA1 (0.70) GAAHTTMEN1KMT2AMAPT

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-6201129-B1 ANTICARCINOGENIC AGENTS UNIV. COLLEGE CARDIFF CONSULTANTS (GB) 2001-03-13 US disclosed