SCHEMBL3668537

SCHEMBL3668537

CC(=O)[AsH]c1cc(Oc2ccc3c(C(=O)O)cccc3c2)ncn1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.48
FLT1 P17948 3/20 0.44
FLT4 P35916 3/20 0.44
RET P07949 1/20 0.43
PDGFRB P09619 1/20 0.43
KIT P10721 1/20 0.43
AURKA O14965 4/20 0.42
MET P08581 4/20 0.42
TEK Q02763 4/20 0.42
AURKB Q96GD4 4/20 0.42
PTPN1 P18031 1/20 0.41
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39
LYN P07948 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
SCHEMBL2710044 0.83 KDR (0.52) KDRFLT1FLT4RETPDGFRB
SCHEMBL272878 0.82 KDR (0.55) KDRFLT1FLT4RETPDGFRB
SCHEMBL2436216 0.81 KDR (0.63) KDRFLT1FLT4RETPDGFRB
SCHEMBL275024 0.80 KDR (0.60) KDRFLT1FLT4RETPDGFRB
SCHEMBL2434197 0.80 KDR (0.70) KDRFLT1FLT4
SCHEMBL2706646 0.80 KDR (0.53) KDRFLT1FLT4RETPDGFRB
SCHEMBL987727 0.79 KDR (0.64) KDRFLT1FLT4RETPDGFRB
SCHEMBL2708528 0.79 KDR (0.64) KDRFLT1FLT4RETPDGFRB
SCHEMBL3580589 0.78 KDR (0.52) KDRFLT1FLT4RETPDGFRB
SCHEMBL2706582 0.78 KDR (0.53) KDRFLT1FLT4RETPDGFRB

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
EP-2146964-A2 ETHERS OF NAPHTALENE CARBOXYLIC ACID AMIDES AS CANCER CURE Novartis Ag (CH) 2010-01-27 EP claimed
WO-2008125691-A2 ETHERS OF NAPHTALENE CARBOXYLIC ACID AMIDES AS CANCER CURE NOVARTIS AG (CH) 2008-10-23 WO claimed