SCHEMBL30898596

SCHEMBL30898596

BrCCCCOc1cnc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.46
PDGFRA P16234 2/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.43
MGAM O43451 1/20 0.42
MET P08581 1/20 0.41
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 1/20 0.40
BIRC5 O15392 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TLR8 Q9NR97 2/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPBAR1 Q8TDU6 2/20 0.39
CYSLTR2 Q9NS75 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
SCHEMBL29248320 1.00 PDGFRB (0.46) PDGFRBPDGFRACHRNB2CHRNA4RAB9A
SCHEMBL30898598 0.98 PDGFRB (0.45) PDGFRBPDGFRACHRNB2CHRNA4RAB9A
SCHEMBL29248323 0.98 PDGFRB (0.45) PDGFRBPDGFRACHRNB2CHRNA4RAB9A
SCHEMBL29248321 0.95 PDGFRB (0.47) PDGFRBPDGFRACHRNB2CHRNA4RAB9A
SCHEMBL30898600 0.95 PDGFRB (0.47) PDGFRBPDGFRACHRNB2CHRNA4RAB9A
SCHEMBL29248551 0.90 RAB9A (0.50) PDGFRBPDGFRACHRNB2CHRNA4RAB9A
SCHEMBL30898597 0.90 RAB9A (0.50) PDGFRBPDGFRACHRNB2CHRNA4RAB9A
SCHEMBL16836548 0.84 TLR8 (0.56) PDGFRBPDGFRACHRNB2CHRNA4RAB9A
SCHEMBL28900569 0.84 PDGFRB (0.46) PDGFRBPDGFRACHRNB2CHRNA4RAB9A
SCHEMBL7237993 0.83 PDGFRB (0.49) PDGFRBPDGFRACHRNB2CHRNA4RAB9A

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-117964676-B CDDO quinoline derivative for inhibiting hypoxia inducible factor 1 alpha as well as preparation method and application thereof 中国药科大学 2026-02-27 CN disclosed
CN-117964676-A CDDO quinoline derivative for inhibiting hypoxia inducible factor 1 alpha as well as preparation method and application thereof 中国药科大学 2024-05-03 CN disclosed