SCHEMBL9309427

SCHEMBL9309427

Clc1cc(OC2CCCCC2)nc(OC2CCCCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.41
PDGFRA P16234 3/20 0.41
LOX P28300 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
PTGS1 P23219 5/20 0.39
S1PR1 P21453 2/20 0.37
KMO O15229 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CSNK2A1 P68400 2/20 0.34
LRRK2 Q5S007 1/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
MAOB P27338 1/20 0.33

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
SCHEMBL3410707 0.81 CDK4 (0.40) PDGFRBPDGFRAPTGS1LRRK2CDK1
SCHEMBL19510918 0.77 FFAR4 (0.39) PDGFRBPDGFRAPTGS1LRRK2
SCHEMBL15662450 0.77 PTGS1 (0.53) PDGFRBPDGFRALOXL2PTGS1CSNK2A1
SCHEMBL22131206 0.77 PDE4A (0.40) PDGFRBPDGFRALOXLOXL2PTGS1
SCHEMBL30000148 0.76 TAS1R3 (0.45) S1PR1KMOTDP1MAOB
SCHEMBL27172375 0.76 TAS1R3 (0.45) S1PR1KMOTDP1MAOB
SCHEMBL5405665 0.75 S1PR1 (0.52) PDGFRBPDGFRALOXLOXL2S1PR1
SCHEMBL5399844 0.75 S1PR1 (0.52) PDGFRBPDGFRALOXLOXL2S1PR1
SCHEMBL19510867 0.75 FFAR4 (0.39) PDGFRBPDGFRALOXLOXL2PTGS1
SCHEMBL4784301 0.75 PDGFRB (0.36) PDGFRBPDGFRALOXLOXL2PTGS1

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
US-5340701-A Photoinitiators CIBA-GEIGY CORPORATION (US) 1994-08-23 US disclosed