SCHEMBL30786377

SCHEMBL30786377

COc1cc2cccnc2cc1OCCCN(C)CCCS

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.59
PDGFRA P16234 3/20 0.59
PDPK1 O15530 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.40
TLR8 Q9NR97 5/20 0.40
PDE10A Q9Y233 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
ALDH1A1 P00352 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
EHMT1 Q9H9B1 1/20 0.38

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
SCHEMBL30997309 0.89 PDGFRB (0.68) PDGFRBPDGFRAPDPK1MEN1KMT2A
SCHEMBL8389350 0.85 PDGFRB (0.69) PDGFRBPDGFRAATMTLR8PDE10A
SCHEMBL30997286 0.81 PDGFRB (0.64) PDGFRBPDGFRAMEN1KMT2ANPC1
SCHEMBL30997278 0.81 PDGFRB (0.62) PDGFRBPDGFRAMEN1KMT2ANPC1
SCHEMBL4299023 0.77 PDGFRB (1.00) PDGFRBPDGFRANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL29357672 0.76 PDGFRB (0.96) PDGFRBPDGFRANPC1RAB9ASMN1; SMN2
SCHEMBL24444648 0.74 PDGFRB (0.59) PDGFRBPDGFRAPDPK1EHMT2EHMT1
SCHEMBL8390390 0.74 PDGFRB (0.59) PDGFRBPDGFRATLR8PDE10ANOS1
SCHEMBL28102697 0.73 PDGFRB (0.67) PDGFRBPDGFRAPDPK1NPC1RAB9A
SCHEMBL30786378 0.72 HDAC6 (0.56) PDGFRBPDGFRAMEN1KMT2A

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-113924288-B Quinolinyl-containing compound, pharmaceutical composition and application thereof 北京普祺医药科技股份有限公司 2024-04-05 CN disclosed