SCHEMBL28902306

SCHEMBL28902306

COC(=O)c1ccc2c(Cc3c[nH]c4cc([N+](=O)[O-])ccc34)c[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.61
GPR84 Q9NQS5 1/20 0.59
MAPT P10636 3/20 0.55
GAA P10253 1/20 0.55
PTPRA P18433 1/20 0.54
PKM P14618 1/20 0.53
PKLR P30613 1/20 0.53
CYP2C19 P33261 1/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NQO2 P16083 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.44
ASH1L Q9NR48 1/20 0.43
FAAH O00519 1/20 0.43

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
SCHEMBL10925186 0.92 GPR84 (0.53) NPC1GPR84MAPTGAAPTPRA
SCHEMBL3676424 0.83 GPR84 (0.58) NPC1GPR84MAPTGAAMEN1
SCHEMBL4629902 0.82 GPR84 (0.57) GPR84MAPTGAAMEN1KMT2A
SCHEMBL10921361 0.81 PLA2G4A (0.56) MAPTGAAPTPRAPKMPKLR
SCHEMBL28902340 0.81 PKM (0.56) GPR84MAPTGAAPTPRAPKM
SCHEMBL13302322 0.81 ASH1L (0.51) NPC1MAPTGAAMEN1KMT2A
SCHEMBL28902320 0.81 PTPRA (0.47) NPC1GPR84MAPTGAAPTPRA
SCHEMBL28902304 0.80 PTPRA (0.58) GPR84MAPTGAAPTPRAPKM
SCHEMBL5129036 0.80 NPC1 (0.77) NPC1GPR84MEN1KMT2AASH1L
SCHEMBL28902308 0.79 PKM (0.61) GPR84MAPTGAAPTPRAPKM

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-115403501-B Preparation method and application of 3,3' -diaryl methane compound 五邑大学 2024-03-26 CN disclosed
CN-115403501-A Preparation method and application of 3,3' -diarylmethane compound 五邑大学 2022-11-29 CN disclosed