SCHEMBL6779295

SCHEMBL6779295

COc1cc2c(cc1OC)C(=CC(C)Nc1ccc(CNc3ccccc3)cc1)C(=O)N2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.51
TLK2 Q86UE8 3/20 0.43
NTRK1 P04629 4/20 0.43
BRD4 O60885 2/20 0.40
MAPT P10636 2/20 0.40
HIF1A Q16665 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 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
SCHEMBL6329680 0.91 RET (0.49) RETTLK2NTRK1BRD4MAPT
SCHEMBL6333337 0.90 RET (0.57) RETTLK2BRD4MAPTHIF1A
SCHEMBL6778312 0.88 RET (0.45) RETTLK2NTRK1BRD4
SCHEMBL6333166 0.87 RET (0.44) RETTLK2NTRK1BRD4
SCHEMBL6340156 0.86 RET (0.48) RETTLK2BRD4MAPTHIF1A
SCHEMBL6338486 0.86 RET (0.43) RETTLK2NTRK1BRD4
SCHEMBL6336804 0.86 RET (0.48) RETTLK2BRD4
SCHEMBL6337237 0.85 RET (0.43) RETTLK2NTRK1BRD4KMT2A
SCHEMBL6329102 0.85 RET (0.45) RETTLK2BRD4
SCHEMBL6330735 0.85 RET (0.44) RETTLK2NTRK1BRD4

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-6794395-B1 Substituted indolinones, their manufacture and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-21 US disclosed