SCHEMBL7474775

SCHEMBL7474775

CC/C(Nc1ccc(CC(=O)O)cc1)=C1\C(=O)Nc2cc(OC)c(OC)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.47
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
NR1H4 Q96RI1 4/20 0.43
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
EPHX2 P34913 1/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
EGFR P00533 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
CA5A P35218 1/20 0.37

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
SCHEMBL6329199 1.00 RET (0.47) RETKDM4EPOLBNR1H4TP53
SCHEMBL6329207 1.00 RET (0.47) RETKDM4EPOLBNR1H4TP53
SCHEMBL6330783 0.91 RET (0.44) RETPOLBNR1H4EPHX2EGFR
SCHEMBL6330792 0.91 RET (0.44) RETPOLBNR1H4EPHX2EGFR
SCHEMBL6337227 0.89 CHEK1 (0.45) RETKDM4EEPHX2GAAEGFR
SCHEMBL7473358 0.89 RET (0.45) RETMAPTEPHX2GAA
SCHEMBL6337231 0.89 CHEK1 (0.45) RETKDM4EEPHX2GAAEGFR
SCHEMBL6332666 0.89 RET (0.45) RETMAPTEPHX2GAA
SCHEMBL6332672 0.89 RET (0.45) RETMAPTEPHX2GAA
SCHEMBL6329185 0.87 RET (0.48) RETPOLBNR1H4MAPTGAA

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-1212318-A1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-06-12 EP disclosed
WO-2001016130-A1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-08 WO disclosed