SCHEMBL28313795

SCHEMBL28313795

Cn1cc(Cc2ccccc2)c2cc(N)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.51
HTR2A P28223 1/20 0.46
HTR6 P50406 2/20 0.45
ADRB2 P07550 1/20 0.43
HTR1D P28221 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
HBB P68871 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
AHR P35869 1/20 0.41
PLA2G4A P47712 2/20 0.40
PLA2G2A P14555 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL30791368 0.85 ADRB2 (0.45) GPR84HTR2AHTR6ADRB2HTR1D
SCHEMBL23525696 0.85 ADRB2 (0.45) GPR84HTR2AHTR6ADRB2HTR1D
SCHEMBL15687192 0.81 GPR84 (0.50) GPR84HTR6MEN1KMT2AMAPT
SCHEMBL12850750 0.80 GPR84 (0.79) GPR84HTR2AHTR6MEN1KMT2A
SCHEMBL9400590 0.79 ADRB2 (0.49) GPR84HTR2AHTR6ADRB2HTR1D
SCHEMBL3320875 0.78 HTR1D (0.68) GPR84HTR2AHTR6ADRB2HTR1D
SCHEMBL3323916 0.76 ADRB2 (0.50) GPR84HTR2AHTR6ADRB2HTR1D
SCHEMBL3353042 0.75 HTR6 (0.47) GPR84HTR2AHTR6ADRB2HTR1D
SCHEMBL15687602 0.74 HASPIN (0.50) GPR84ALDH1A1MAPTHPGDTDP1
SCHEMBL10577553 0.74 ADRB2 (0.44) GPR84HTR2AHTR6ADRB2HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110183371-A A kind of preparation process of zafirlukast intermediate 南京医科大学 2019-08-30 CN disclosed