SCHEMBL28528875

SCHEMBL28528875

OCC(c1cccc(F)c1)c1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 9/20 0.51
GAA P10253 9/20 0.51
SI P14410 9/20 0.51
MGAM2 Q2M2H8 9/20 0.51
GPR84 Q9NQS5 3/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 1/20 0.49
CYP2D6 P10635 2/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
KCNH2 Q12809 1/20 0.48
FFAR1 O14842 1/20 0.48
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 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
SCHEMBL1348944 0.85 MGAM (0.64) MGAMGAASIMGAM2GPR84
SCHEMBL28519198 0.85 MEN1 (0.66) MGAMGAASIMGAM2GPR84
SCHEMBL22922613 0.81 MAPT (0.52) MGAMGAASIMGAM2GPR84
SCHEMBL5186684 0.74 CYP2D6 (0.67) MGAMGAASIMGAM2GPR84
SCHEMBL31232965 0.74 MGAM (0.67) MGAMGAASIMGAM2GPR84
SCHEMBL7091761 0.74 TDO2 (0.46) GPR84SLC6A4KCNH2
SCHEMBL7967556 0.73 GPR84 (0.62) MGAMGAASIMGAM2GPR84
SCHEMBL28528876 0.73 ADRB3 (0.54) GPR84KMT2AMEN1POLBSLC6A2
SCHEMBL14168804 0.71 GPR84 (0.64) MGAMGAASIMGAM2GPR84
SCHEMBL27358106 0.71 ALDH1A1 (0.55) MGAMGAASIMGAM2GPR84

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-112250614-B Synthesis method of 3-spiro-tricyclic indolone derivative 苏州大学 2022-02-01 CN disclosed
CN-112250614-A Synthesis method of 3-spiro-tricyclic indolone derivative 苏州大学 2021-01-22 CN disclosed