SCHEMBL30029554

SCHEMBL30029554

O=[N+]([O-])c1ccc2c(Cc3c[nH]c4ccc(F)cc34)c[nH]c2c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.64
PKM P14618 1/20 0.61
PKLR P30613 1/20 0.61
PTPRA P18433 1/20 0.52
MPO P05164 8/20 0.50
CYP2C19 P33261 1/20 0.50
TSHR P16473 1/20 0.49
NQO2 P16083 1/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
HTR1A P08908 1/20 0.47
KMT2A Q03164 1/20 0.47
SLC6A4 P31645 1/20 0.45

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
SCHEMBL28902316 1.00 GPR84 (0.64) GPR84PKMPKLRPTPRAMPO
SCHEMBL27929617 0.85 NQO2 (0.61) GPR84PKMPKLRPTPRACYP2C19
SCHEMBL28902300 0.85 PKM (0.61) GPR84PKMPKLRPTPRACYP2C19
SCHEMBL30030581 0.85 PKM (0.61) GPR84PKMPKLRPTPRACYP2C19
SCHEMBL30030626 0.84 PKM (0.84) GPR84PKMPKLRPTPRACYP2C19
SCHEMBL8544378 0.83 GPR84 (0.54) GPR84PKMPKLRMPOTSHR
SCHEMBL28902319 0.82 PKM (0.58) GPR84PKMPKLRPTPRACYP2C19
SCHEMBL28902324 0.82 PKM (0.60) GPR84PKMPKLRPTPRACYP2C19
SCHEMBL30029570 0.82 PKM (0.60) GPR84PKMPKLRPTPRACYP2C19
SCHEMBL28902305 0.80 PKM (0.61) GPR84PKMPKLRPTPRACYP2C19

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