SCHEMBL5829166

SCHEMBL5829166

COc1ccc2[nH]c(/C=C/c3c(Cl)ccc(OC)c3Cl)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.44
CA2 P00918 2/20 0.42
FLT3 P36888 4/20 0.41
PDGFRB P09619 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
PDGFRA P16234 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 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
SCHEMBL5829170 1.00 AXL (0.44) AXLCA2FLT3PDGFRBLOXL2
SCHEMBL5828048 0.84 FLT3 (0.51) AXLCA2FLT3PDGFRBLOXL2
SCHEMBL5828046 0.84 FLT3 (0.51) AXLCA2FLT3PDGFRBLOXL2
SCHEMBL5828084 0.83 AXL (0.50) AXLCA2FLT3PDGFRBLOXL2
SCHEMBL5828082 0.83 AXL (0.50) AXLCA2FLT3PDGFRBLOXL2
SCHEMBL5829136 0.80 AXL (0.50) AXLCA2FLT3PDGFRBLOXL2
SCHEMBL5829134 0.80 AXL (0.50) AXLCA2FLT3PDGFRBLOXL2
SCHEMBL5828843 0.80 CYP1A1 (0.46) AXLFLT3PDGFRBLOXL2PDGFRA
SCHEMBL5828840 0.80 CYP1A1 (0.46) AXLFLT3PDGFRBLOXL2PDGFRA
SCHEMBL5827972 0.78 AXL (0.50) AXLCA2FLT3PDGFRBLOXL2

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-7094798-B1 Inhibitors of checkpoint kinases (Wee1 and Chk1) PFIZER INC (US) 2006-08-22 US disclosed