SCHEMBL28616191

SCHEMBL28616191

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.63
KMT2A Q03164 12/20 0.63
RAB9A P51151 5/20 0.58
NPC1 O15118 4/20 0.58
MAPT P10636 4/20 0.55
MAPK1 P28482 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ACR P10323 1/20 0.54
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
ALPL P05186 1/20 0.51
HPGD P15428 3/20 0.51
POLB P06746 2/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
TP53 P04637 1/20 0.50
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL28256906 0.87 RAB9A (0.62) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL28258456 0.87 SNCA (0.61) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL28256911 0.87 MEN1 (0.56) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL28256941 0.87 KMT2A (0.61) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL28256896 0.86 MEN1 (0.54) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL28614249 0.85 SNCA (0.64) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL20764249 0.84 ACR (0.69) MEN1KMT2AMAPTACRALPL
SCHEMBL28626779 0.84 MEN1 (0.54) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL28617518 0.84 MEN1 (0.59) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL28258627 0.84 MEN1 (0.53) MEN1KMT2ARAB9ANPC1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108929271-A Tyrosinase inhibitor and preparation method thereof and purposes 中国药科大学 2018-12-04 CN claimed
CN-108929271-B Tyrosinase inhibitor and preparation method and application thereof 中国药科大学 2021-08-31 CN disclosed
CN-108929271-A Tyrosinase inhibitor and preparation method thereof and purposes 中国药科大学 2018-12-04 CN disclosed