SCHEMBL28680385

SCHEMBL28680385

Cc1ccc(N)c(N)c1C.N=C=O.N=C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
CD44 P16070 1/20 0.38
CYP3A4 P08684 7/20 0.34
TSHR P16473 3/20 0.34
ALDH1A1 P00352 6/20 0.33
TDP1 Q9NUW8 6/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
CASP1 P29466 1/20 0.33
MAPT P10636 1/20 0.32
PIK3CA P42336 1/20 0.32
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PAX8 Q06710 1/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 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
SCHEMBL29366969 0.86 POLB (0.48) POLBCD44CYP3A4TSHRALDH1A1
SCHEMBL34364 0.86 POLB (0.48) POLBCD44CYP3A4TSHRALDH1A1
Hydrochloric Acid SCHEMBL5183951 0.84 POLB (0.46) POLBCD44CYP3A4TSHRALDH1A1
Methane SCHEMBL701905 0.84 POLB (0.46) POLBCD44CYP3A4TSHRALDH1A1
Hydrochloric Acid SCHEMBL10761313 0.84 POLB (0.46) POLBCD44CYP3A4TSHRALDH1A1
SCHEMBL29087953 0.79 POLB (0.42) POLBCD44CYP3A4TSHRALDH1A1
SCHEMBL29087964 0.79 CD44 (0.42) POLBCD44CYP3A4TSHRALDH1A1
Carbamic Acid SCHEMBL8735463 0.78 TDP1 (0.41) POLBCD44CYP3A4TSHRALDH1A1
SCHEMBL974136 0.78 POLB (0.38) POLBCD44CYP3A4TSHRALDH1A1
Sulfuric Acid SCHEMBL30338570 0.78 ALDH1A1 (0.39) POLBCD44CYP3A4TSHRALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113969129-A Biodegradable aqueous polyurethane pressure-sensitive adhesive and product with biodegradable aqueous polyurethane pressure-sensitive adhesive 四维创新材料股份有限公司 2022-01-25 CN claimed
CN-113969129-A Biodegradable aqueous polyurethane pressure-sensitive adhesive and product with biodegradable aqueous polyurethane pressure-sensitive adhesive 四维创新材料股份有限公司 2022-01-25 CN disclosed