SCHEMBL20570372

SCHEMBL20570372

NC(CO)C(=O)Nc1cccc(Oc2cccc(-c3ccccc3)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
GALK1 P51570 1/20 0.47
CASP6 P55212 1/20 0.47
MCL1 Q07820 1/20 0.47
PLEC Q15149 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SCN9A Q15858 1/20 0.47
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
PGGT1B P53609 1/20 0.46
MGLL Q99685 1/20 0.46
NPY5R Q15761 1/20 0.45
F13A1 P00488 1/20 0.44
TGM2 P21980 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 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
SCHEMBL20570368 1.00 MITF (0.50) MITFALDH1A1POLBMAPK1HTT
Trifluoroacetic Acid SCHEMBL20568992 0.85 HDAC3 (0.54) MITFALDH1A1POLBMAPK1HTT
Trifluoroacetic Acid SCHEMBL20568990 0.85 HDAC3 (0.54) MITFALDH1A1POLBMAPK1HTT
SCHEMBL20570047 0.83 F10 (0.58)
SCHEMBL20570050 0.83 F10 (0.58)
SCHEMBL14456468 0.82 TAAR1 (0.56) SCN9AFNTAFNTBPGGT1B
SCHEMBL11642407 0.81 MITF (0.57) MITFALDH1A1POLBMAPK1HTT
SCHEMBL2308107 0.80 ALDH1A1 (0.59) ALDH1A1TSHR
SCHEMBL14456427 0.80 LTA4H (0.60) FNTAFNTBPGGT1BHDAC4
SCHEMBL14467491 0.80 PLAU (0.55) FNTAFNTBPGGT1B

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
WO-2018216823-A1 ALPHA-AMINO AMIDE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-11-29 WO disclosed