SCHEMBL8525069

SCHEMBL8525069

O=C(c1ccccc1-n1cncn1)c1cnoc1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 1/20 0.44
PDE2A O00408 1/20 0.39
MGLL Q99685 1/20 0.37
KMT2A Q03164 2/20 0.35
EPHX2 P34913 2/20 0.35
DHODH Q02127 3/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SYK P43405 1/20 0.34
NAMPT P43490 1/20 0.34
MEN1 O00255 1/20 0.33
PDE9A O76083 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL8525576 0.84 DHODH (0.44) HCRTR1PDE2AMGLLKMT2AEPHX2
SCHEMBL8492410 0.83 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL8491301 0.79 F9 (0.42) PDE2AKMT2AALDH1A1MAPTSYK
SCHEMBL1822437 0.78 PDE2A (0.43) HCRTR1HCRTR2PDE2AMGLLEPHX2
SCHEMBL8524146 0.78 DHODH (0.38) PDE2AEPHX2DHODHALDH1A1SYK
SCHEMBL8817736 0.78 PDE4D (0.41) HCRTR1HCRTR2PDE2AEPHX2DHODH
SCHEMBL1822485 0.77 PDE2A (0.38) PDE2AMGLLEPHX2DHODHALDH1A1
SCHEMBL8492423 0.77 PDE2A (0.38) PDE2AKMT2AEPHX2ALDH1A1MAPT
SCHEMBL8524536 0.76 PDE2A (0.38) PDE2AKMT2AALDH1A1SYKMEN1
SCHEMBL8816943 0.76 PDE2A (0.36) HCRTR1HCRTR2PDE2AEPHX2DHODH

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
WO-1999003856-A1 4-BENZOYL-ISOXAZOLE- AND -PYRAZOLE DERIVATIVES AND 2-CYANO 1,3-DIONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-28 WO disclosed