SCHEMBL28548778

SCHEMBL28548778

ClN=Nc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.57
HSD17B10 Q99714 5/20 0.57
HTT P42858 5/20 0.57
TSHR P16473 4/20 0.57
TDP1 Q9NUW8 4/20 0.57
CYP3A4 P08684 4/20 0.57
ALOX12 P18054 5/20 0.56
L3MBTL1 Q9Y468 5/20 0.56
MAPK1 P28482 4/20 0.56
ALOX15 P16050 2/20 0.56
PTGS1 P23219 1/20 0.56
SLC6A2 P23975 1/20 0.56
PTGS2 P35354 1/20 0.56
HTR2B P41595 1/20 0.56
MAPT P10636 8/20 0.46
HPGD P15428 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 6/20 0.44

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
SCHEMBL2437660 0.84 ALDH1A1 (0.65) ALDH1A1HSD17B10HTTTSHRTDP1
SCHEMBL61806 0.84 ALDH1A1 (0.65) ALDH1A1HSD17B10HTTTSHRTDP1
SCHEMBL31555953 0.82 ALDH1A1 (0.62) ALDH1A1HSD17B10HTTTSHRTDP1
SCHEMBL28560958 0.81 ALDH1A1 (0.55) ALDH1A1HSD17B10HTTTSHRTDP1
SCHEMBL8044244 0.81 ALDH1A1 (0.55) ALDH1A1HSD17B10HTTTSHRTDP1
SCHEMBL28560957 0.81 ALDH1A1 (0.55) ALDH1A1HSD17B10HTTTSHRTDP1
SCHEMBL16768765 0.79 ALDH1A1 (0.67) ALDH1A1HSD17B10HTTTSHRTDP1
SCHEMBL14580398 0.78 ALDH1A1 (0.57) ALDH1A1HSD17B10HTTTSHRTDP1
SCHEMBL17705700 0.78 ALDH1A1 (0.57) ALDH1A1HSD17B10HTTTSHRTDP1
SCHEMBL13664154 0.78

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-108273478-B Formaldehyde removal composition and product 李怀玉 2021-03-02 CN disclosed