SCHEMBL28464375

SCHEMBL28464375

Nc1cc(Oc2c(F)c(F)c(F)c(-c3c(F)c(F)c(F)c(F)c3F)c2Oc2ccc(O)c(N)c2)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
ALDH1A1 P00352 7/20 0.45
GAA P10253 6/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 3/20 0.45
RECQL P46063 2/20 0.45
THRB P10828 2/20 0.45
BLM P54132 1/20 0.45
MCL1 Q07820 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HSP90AA1 P07900 2/20 0.39
POLB P06746 1/20 0.39
NR4A1 P22736 1/20 0.36
HSD17B10 Q99714 5/20 0.36
ALOX15 P16050 3/20 0.34
ALOX12 P18054 3/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 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
SCHEMBL6852477 0.94 MAPT (0.45) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL6856738 0.92 ALDH1A1 (0.49) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL7719544 0.87 ALDH1A1 (0.53) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL19990153 0.81 ALDH1A1 (0.40) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL6849207 0.81 MAPT (0.42) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL4622978 0.79 MAPT (0.46) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL6853365 0.77 MAPT (0.44) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL6854236 0.77 HSD17B10 (0.41) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL30681849 0.76 ALDH1A1 (0.48) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL28336685 0.76 ALDH1A1 (0.42) MAPTALDH1A1GAAMEN1KMT2A

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-107429059-B Energy-sensitive resin composition 东京应化工业株式会社 2020-10-23 CN disclosed