SCHEMBL7850653

SCHEMBL7850653

COc1ccc(Cl)c(Oc2c(N)ncnc2OCCC(C)(C)C(O[SiH2]C)O[SiH2]C)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 6/20 0.43
EDNRB P24530 5/20 0.43
RET P07949 2/20 0.33
KDR P35968 7/20 0.32
ERBB2 P04626 1/20 0.32
DHPS P49366 1/20 0.32
CSF1R P07333 1/20 0.31
KIT P10721 1/20 0.31
PDGFRA P16234 1/20 0.31
FLT1 P17948 1/20 0.31
FLT4 P35916 1/20 0.31
FLT3 P36888 1/20 0.31
TEK Q02763 1/20 0.31
MAP4K4 O95819 1/20 0.31
SRC P12931 1/20 0.31

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
SCHEMBL4426889 0.80 EDNRA (0.49) EDNRAEDNRBDHPSTEK
SCHEMBL7850652 0.79 EDNRA (0.47) EDNRAEDNRBKDRERBB2DHPS
SCHEMBL4432925 0.75 EDNRA (0.65) EDNRAEDNRB
SCHEMBL4434185 0.73 DHPS (0.42) EDNRAEDNRBERBB2DHPSTEK
SCHEMBL5097996 0.73 EDNRB (0.56) EDNRAEDNRB
SCHEMBL5632102 0.72 EDNRB (0.77) EDNRAEDNRB
Alcohol SCHEMBL8637347 0.71 EDNRB (0.40) EDNRAEDNRBRETERBB2DHPS
SCHEMBL16762457 0.70 ALDH1A1 (0.45)
SCHEMBL7851914 0.68 EDNRA (0.49) EDNRAEDNRBKDRDHPSFLT1
SCHEMBL4435549 0.67 EDNRB (0.44) EDNRAEDNRBKDRSRC

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
EP-0713875-B1 Sulfonamides HOFFMANN LA ROCHE (CH) 2001-03-21 EP disclosed