SCHEMBL30745166

SCHEMBL30745166

BrCCc1ccc2ncc(Br)cc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
MET P08581 5/20 0.34
DYRK1A Q13627 2/20 0.33
NPC1 O15118 1/20 0.33
TDP1 Q9NUW8 3/20 0.32
BIRC5 O15392 1/20 0.32
DAO P14920 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL29151033 1.00 PDGFRB (0.34) PDGFRBPDGFRAMETDYRK1ANPC1
SCHEMBL29151025 0.85 KDM4E (0.39) PDGFRBPDGFRAMETDYRK1ANPC1
SCHEMBL30745169 0.85 KDM4E (0.39) PDGFRBPDGFRAMETDYRK1ANPC1
SCHEMBL14756190 0.85 TAAR1 (0.46) TDP1ALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL14756200 0.81 TAAR1 (0.50) NPSR1POLBHPGDALDH1A1MAPT
SCHEMBL17242123 0.81 MALT1 (0.34) PDGFRBPDGFRAMETDYRK1ANPC1
SCHEMBL6519685 0.81 ROCK1 (0.41) DYRK1ANPC1HTTBACE1
SCHEMBL31717019 0.81 DYRK1A (0.34) PDGFRBPDGFRAMETDYRK1ANPC1
SCHEMBL2147979 0.81 HSD17B10 (0.37) METDYRK1ANPC1BIRC5
SCHEMBL18563403 0.81 CYP1A2 (0.41) PDGFRBPDGFRANPC1HPGDALDH1A1

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-117510470-A Pyridazinone compounds and application thereof 暨南大学 2024-02-06 CN disclosed