SCHEMBL30520123

SCHEMBL30520123

O=C=Nc1cccnc1N=C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
APLNR P35414 1/20 0.37
TRPA1 O75762 1/20 0.33
PLAU P00749 2/20 0.32
TDP1 Q9NUW8 4/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
KMT2A Q03164 2/20 0.30
TDP2 O95551 1/20 0.30
NSD2 O96028 1/20 0.30
ABL1 P00519 1/20 0.30
PLCG1 P19174 1/20 0.30
CES1 P23141 1/20 0.30
PAX8 Q06710 1/20 0.30
RIN1 Q13671 1/20 0.30
MEN1 O00255 1/20 0.30
THRB P10828 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL1410939 1.00 CYP3A4 (0.47) CYP3A4APLNRTRPA1PLAUTDP1
SCHEMBL8691280 0.78 CYP3A4 (0.45) CYP3A4APLNRTRPA1TDP1ALDH1A1
SCHEMBL3658777 0.78 TRIM24 (0.34) CYP3A4PLAUTDP1ALDH1A1HPGD
SCHEMBL10995072 0.78 CYP3A4 (0.45) CYP3A4APLNRTRPA1ALDH1A1KMT2A
SCHEMBL2378650 0.78 CYP3A4 (0.55) CYP3A4APLNRTRPA1PLAUTDP1
SCHEMBL23214427 0.78 PLAU (0.52) CYP3A4APLNRTRPA1PLAUGABRA1
SCHEMBL28051639 0.78 TDP1 (0.38) CYP3A4TDP1ALDH1A1GABRA1GABRB2
SCHEMBL7388303 0.75 APLNR (0.58) CYP3A4APLNRPLAUTDP1ALDH1A1
SCHEMBL625372 0.75 KDM4E (0.48) CYP3A4TDP1ALDH1A1KMT2AMEN1
SCHEMBL27889370 0.75 CYP3A4 (0.47) CYP3A4APLNRTRPA1TDP1ALDH1A1

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
CN-116529330-A Adhesive composition and adhesive sheet using same 东友精细化工有限公司 2023-08-01 CN disclosed