SCHEMBL28291166

SCHEMBL28291166

O=C(O)c1cncc(Cc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.50
HCAR2 Q8TDS4 1/20 0.45
SCD O00767 1/20 0.44
ALOX15 P16050 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
P4HTM Q9NXG6 1/20 0.41
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL24499911 0.83 BRD4 (0.55) BRD4SCDALDH1A1HPGDKDM4E
SCHEMBL28379554 0.80 KLKB1 (0.40)
SCHEMBL11814351 0.79 BRD4 (0.71) BRD4HCAR2ALOX15KDM4ETSHR
SCHEMBL1760358 0.74 HCAR2 (0.41) HCAR2ALOX15ALDH1A1HPGDHSD17B10
SCHEMBL2219484 0.74 P4HTM (0.49) BRD4HCAR2ALOX15ALDH1A1HPGD
SCHEMBL19308315 0.73 TP53 (0.43) BRD4SCDALDH1A1HPGDTSHR
SCHEMBL13562461 0.73 SCD (0.44) BRD4SCDALDH1A1TSHR
SCHEMBL9391584 0.73 GRM4 (0.43) SCDALDH1A1
SCHEMBL3266491 0.73 ALDH1A1 (0.52) BRD4SCDALDH1A1TDP1
SCHEMBL23406320 0.72 SCD (0.39) BRD4SCDALDH1A1HPGDKDM4E

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-109706453-A Application of the benzopyrazines class compound in copper face roughening and include its copper face roughening composition 广东东硕科技有限公司 2019-05-03 CN claimed
CN-109706453-B Application of benzopyrazine compound in copper surface roughening and composition containing benzopyrazine compound for copper surface roughening 广东东硕科技有限公司 2021-02-23 CN disclosed
CN-109706453-A Application of the benzopyrazines class compound in copper face roughening and include its copper face roughening composition 广东东硕科技有限公司 2019-05-03 CN disclosed