SCHEMBL28420428

SCHEMBL28420428

N#Cc1cccc(Nc2ccccc2)c1Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 4/20 0.59
KDM4E B2RXH2 7/20 0.53
GAA P10253 6/20 0.53
MEN1 O00255 4/20 0.53
MAPT P10636 4/20 0.53
KMT2A Q03164 4/20 0.53
HPGD P15428 3/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GLA P06280 1/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
AURKA O14965 1/20 0.47
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 4/20 0.44
TSHR P16473 2/20 0.44
ALOX15 P16050 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL28406998 0.84 CXCR2 (0.44) CXCR2KDM4EGAAMEN1MAPT
SCHEMBL4188631 0.84 AURKA (0.59) CXCR2KDM4EGAAMEN1MAPT
SCHEMBL29642992 0.80 KDM4E (0.56) CXCR2KDM4EGAAMEN1MAPT
SCHEMBL6550968 0.80 KDM4E (0.51) CXCR2KDM4EGAAMEN1MAPT
SCHEMBL17940666 0.80 KDM4E (0.56) CXCR2KDM4EGAAMEN1MAPT
SCHEMBL17940697 0.80 KDM4E (0.60) CXCR2KDM4EGAAMEN1MAPT
SCHEMBL31264026 0.80 KDM4E (0.51) CXCR2KDM4EGAAMEN1MAPT
SCHEMBL28969955 0.80 MAPT (0.65) CXCR2KDM4EGAAMEN1MAPT
SCHEMBL28290256 0.78 KDM4E (0.53) CXCR2KDM4EGAAMEN1MAPT
SCHEMBL20881623 0.76 KDM4E (0.76) CXCR2KDM4EGAAMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111393448-B Thermal activation delayed fluorescent material and application thereof 深圳大学 2021-06-29 CN disclosed
CN-111393448-A Thermal activation delayed fluorescent material and application thereof 深圳大学 2020-07-10 CN disclosed
CN-108623787-B Novel conjugated microporous organic polymer and synthesis and application thereof 浙江工业大学 2020-05-26 CN disclosed