SCHEMBL7474241

SCHEMBL7474241

CCN(CC)C(=O)CN(c1ccc(NCCC=C2C(=O)Nc3cc(OC)c(OC)cc32)cc1)S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BRD4 O60885 1/20 0.39
HCRTR2 O43614 5/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.36
HCRTR1 O43613 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
TLK2 Q86UE8 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL6338477 0.84 RET (0.42) RETMEN1KMT2ABRD4HCRTR2
SCHEMBL6338475 0.79 MEN1 (0.43) RETMEN1KMT2AHCRTR2NPC1
SCHEMBL6338481 0.79 MEN1 (0.43) RETMEN1KMT2AHCRTR2NPC1
SCHEMBL7475417 0.78 RET (0.44) RETBRD4TLK2GSK3B
SCHEMBL7473364 0.78 RET (0.47) RETKMT2ABRD4ALDH1A1LMNA
SCHEMBL7476129 0.77 RET (0.43) RETBRD4TLK2GSK3B
SCHEMBL7476920 0.77 RET (0.45) RETBRD4TLK2GSK3B
SCHEMBL7472918 0.77 RET (0.54) RETBRD4TLK2GSK3B
SCHEMBL5782382 0.77 RET (0.43) RETMEN1KMT2AHCRTR2NPC1
SCHEMBL5782386 0.77 RET (0.43) RETMEN1KMT2AHCRTR2NPC1

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