SCHEMBL28614249

SCHEMBL28614249

O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(-c2ccc(O)cc2O)n[nH]1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.64
ACR P10323 2/20 0.55
MEN1 O00255 11/20 0.54
KMT2A Q03164 11/20 0.54
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
POLB P06746 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
P2RX1 P51575 1/20 0.49
P2RX4 Q99571 1/20 0.49
P2RX7 Q99572 1/20 0.49
TMPRSS4 Q9NRS4 1/20 0.49
TP53 P04637 1/20 0.48
RAC1 P63000 1/20 0.47
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
BAZ1A Q9NRL2 1/20 0.46

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
SCHEMBL28256911 0.88 MEN1 (0.56) SNCAACRMEN1KMT2ARAB9A
SCHEMBL28256906 0.85 RAB9A (0.62) SNCAMEN1KMT2ARAB9ANPC1
SCHEMBL28258456 0.85 SNCA (0.61) SNCAACRMEN1KMT2ARAB9A
SCHEMBL28616191 0.85 MEN1 (0.63) ACRMEN1KMT2ARAB9ANPC1
SCHEMBL28256941 0.85 KMT2A (0.61) ACRMEN1KMT2ARAB9ANPC1
SCHEMBL28626779 0.82 MEN1 (0.54) SNCAACRMEN1KMT2ARAB9A
SCHEMBL28617518 0.82 MEN1 (0.59) ACRMEN1KMT2ARAB9ANPC1
SCHEMBL28258627 0.82 MEN1 (0.53) ACRMEN1KMT2ARAB9ANPC1
SCHEMBL28256896 0.82 MEN1 (0.54) SNCAACRMEN1KMT2ARAB9A
SCHEMBL28616190 0.81 KMT2A (0.53) MEN1KMT2ARAB9ANPC1CACNA1B

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-108929271-B Tyrosinase inhibitor and preparation method and application thereof 中国药科大学 2021-08-31 CN disclosed