SCHEMBL28985259

SCHEMBL28985259

O=c1[nH]c2[nH]c(=O)n(Cc3cccnc3)c(=O)c2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.49
MAPK10 P53779 1/20 0.49
TLR7 Q9NYK1 3/20 0.47
GABRA5 P31644 2/20 0.45
GABRA1 P14867 1/20 0.45
KMT2A Q03164 2/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALOX5 P09917 1/20 0.44
GRIN1 Q05586 5/20 0.44
GRIN2B Q13224 5/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CNOT7 Q9UIV1 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
SCHEMBL6363070 0.83 ALDH1A1 (0.54) TLR7KMT2AMEN1CYP3A4KDM4E
SCHEMBL1945291 0.75 PKM (0.51) PKMMAPK10TLR7GABRA5GABRA1
SCHEMBL6980977 0.74 PKM (0.79) PKMMAPK10KMT2AOPRM1OPRD1
SCHEMBL28961750 0.71 ADORA2B (0.57) KMT2AMEN1KDM4EL3MBTL1LMNA
SCHEMBL615555 0.71 MPO (0.38) PKMKMT2AMEN1CYP2D6KDM4E
SCHEMBL28985260 0.71 CHRNB2 (0.40) PKML3MBTL1LMNA
SCHEMBL1946195 0.71 PKM (0.47) PKMMAPK10TLR7GABRA5GABRA1
SCHEMBL4915023 0.70 LMNA (0.62) PKMMAPK10GABRA5GABRA1KMT2A
SCHEMBL30345117 0.70 LMNA (0.62) PKMMAPK10GABRA5GABRA1KMT2A
SCHEMBL1944502 0.70 ALDH1A1 (0.70) PKMMAPK10TLR7KMT2AOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116390704-A Composition for whitening and/or lightening keratin materials 莱雅公司 2023-07-04 CN disclosed
CN-115803004-A Stable composition comprising polydatin 莱雅公司 2023-03-14 CN disclosed