SCHEMBL28902308

SCHEMBL28902308

Cc1ccc2c(Cc3c[nH]c4cc([N+](=O)[O-])ccc34)c[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.61
PKLR P30613 1/20 0.61
PTPRA P18433 1/20 0.55
CYP2C19 P33261 1/20 0.53
HTR2A P28223 1/20 0.51
PCSK9 Q8NBP7 1/20 0.49
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NQO2 P16083 1/20 0.45
GPR84 Q9NQS5 2/20 0.45
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.43
DAO P14920 1/20 0.43
CLK1 P49759 1/20 0.43
ACHE P22303 2/20 0.42
HSD17B10 Q99714 1/20 0.42
NPBWR1 P48145 2/20 0.41
MMP2 P08253 1/20 0.41

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
SCHEMBL30030626 0.84 PKM (0.84) PKMPKLRPTPRACYP2C19MAPT
SCHEMBL10265469 0.84 PKM (0.69) PKMPKLRPTPRACYP2C19MAPT
SCHEMBL28902305 0.83 PKM (0.61) PKMPKLRPTPRACYP2C19MAPT
SCHEMBL29005983 0.83 HTR2A (0.69) HTR2APCSK9MAPTGPR84MEN1
SCHEMBL30030232 0.83 PKM (0.55) PKMPKLRPTPRACYP2C19MAPT
SCHEMBL28902311 0.83 PKM (0.57) PKMPKLRPTPRACYP2C19MAPT
SCHEMBL28902324 0.82 PKM (0.60) PKMPKLRPTPRACYP2C19MAPT
SCHEMBL30029570 0.82 PKM (0.60) PKMPKLRPTPRACYP2C19MAPT
SCHEMBL28171417 0.82 PKM (0.63) PKMPKLRPTPRACYP2C19HTR2A
SCHEMBL30030137 0.81 PKM (0.53) PKMPKLRPTPRACYP2C19MAPT

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