SCHEMBL28600602

SCHEMBL28600602

Nc1cccc(Oc2ccccc2S)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
TDP1 Q9NUW8 2/20 0.39
ADRA2B P18089 1/20 0.39
PTGS1 P23219 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
GAA P10253 2/20 0.37
CD44 P16070 1/20 0.35
RCE1 Q9Y256 1/20 0.35
CYP3A4 P08684 4/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 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
SCHEMBL21796060 0.85 ALDH1A1 (0.46) ALDH1A1TDP1ADRA2BPTGS1KDM4E
SCHEMBL28416885 0.85 ALDH1A1 (0.46) ALDH1A1TDP1ADRA2BPTGS1KDM4E
SCHEMBL711288 0.85 CD44 (0.46) ALDH1A1TDP1ADRA2BPTGS1KDM4E
SCHEMBL6756203 0.81 KDM4E (0.31) ALDH1A1TDP1ADRA2BPTGS1KDM4E
SCHEMBL9820616 0.80 CA1 (0.38) ALDH1A1TDP1ADRA2BPTGS1KDM4E
SCHEMBL31037154 0.80 CA1 (0.38) ALDH1A1TDP1ADRA2BPTGS1KDM4E
SCHEMBL20536149 0.76 TSHR (0.48) ALDH1A1TDP1ADRA2BPTGS1KDM4E
SCHEMBL113777 0.75 GAA (0.52) ALDH1A1TDP1ADRA2BPTGS1KDM4E
SCHEMBL31305020 0.75 GAA (0.52) ALDH1A1TDP1ADRA2BPTGS1KDM4E
Water SCHEMBL5145621 0.73 GAA (0.50) ALDH1A1TDP1ADRA2BPTGS1KDM4E

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-113174231-B Polyimide resin composition, adhesive composition, and related articles thereof 荒川化学工业株式会社 2022-09-27 CN disclosed
CN-113174231-A Polyimide resin composition, adhesive composition, and related articles 荒川化学工业株式会社 2021-07-27 CN disclosed