SCHEMBL29201487

SCHEMBL29201487

Nc1ccccc1OC(Oc1ccccc1N)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
ADRA2B P18089 1/20 0.46
PTGS1 P23219 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
GAA P10253 2/20 0.37
RCE1 Q9Y256 1/20 0.37
APP P05067 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL2091208 0.83 ALDH1A1 (0.46) ALDH1A1ADRA2BPTGS1TDP1MAPT
SCHEMBL29893374 0.82 ALDH1A1 (0.50) ALDH1A1ADRA2BPTGS1TDP1MAPT
SCHEMBL112134 0.82 ALDH1A1 (0.50) ALDH1A1ADRA2BPTGS1TDP1MAPT
Hydrochloric Acid SCHEMBL4379610 0.80 ALDH1A1 (0.48) ALDH1A1ADRA2BPTGS1TDP1MAPT
Hydrochloric Acid SCHEMBL27585317 0.80 ALDH1A1 (0.48) ALDH1A1ADRA2BPTGS1TDP1MAPT
SCHEMBL29201489 0.79 ALDH1A1 (0.43) ALDH1A1ADRA2BPTGS1TDP1MAPT
SCHEMBL15391806 0.78 ALDH1A1 (0.46) ALDH1A1ADRA2BPTGS1TDP1MAPT
SCHEMBL418646 0.77 ALDH1A1 (0.45) ALDH1A1ADRA2BPTGS1TDP1MAPT
SCHEMBL2493370 0.77 ALDH1A1 (0.45) ALDH1A1ADRA2BPTGS1TDP1MAPT
SCHEMBL8618190 0.76 ALDH1A1 (0.41) ALDH1A1ADRA2BPTGS1TDP1MAPT

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-115667404-B Curable resin composition, cured film, laminate, method for producing cured film, and semiconductor device 富士胶片株式会社 2024-05-03 CN disclosed