SCHEMBL5828048

SCHEMBL5828048

COc1ccc2[nH]c(C=Cc3c(Cl)cccc3Cl)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.51
AXL P30530 1/20 0.49
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CA2 P00918 1/20 0.46
PDGFRB P09619 3/20 0.44
PDGFRA P16234 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PRF1 P14222 1/20 0.42
HCRTR1 O43613 1/20 0.41

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
SCHEMBL5828046 1.00 FLT3 (0.51) FLT3AXLKDM4EMAPTALDH1A1
SCHEMBL5828082 0.90 AXL (0.50) FLT3AXLKDM4EMAPTALDH1A1
SCHEMBL5828084 0.90 AXL (0.50) FLT3AXLKDM4EMAPTALDH1A1
SCHEMBL5828296 0.85 NFE2L2 (0.55) FLT3AXLKDM4EMAPTALDH1A1
SCHEMBL5828295 0.85 NFE2L2 (0.55) FLT3AXLKDM4EMAPTALDH1A1
SCHEMBL5829166 0.84 AXL (0.44) FLT3AXLKDM4EMAPTALDH1A1
SCHEMBL5829170 0.84 AXL (0.44) FLT3AXLKDM4EMAPTALDH1A1
SCHEMBL5829268 0.83 CA2 (0.49) FLT3AXLKDM4EMAPTALDH1A1
SCHEMBL5829270 0.83 CA2 (0.49) FLT3AXLKDM4EMAPTALDH1A1
SCHEMBL5829136 0.82 AXL (0.50) FLT3AXLKDM4EMAPTALDH1A1

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