SCHEMBL6779288

SCHEMBL6779288

CC/C(Nc1ccc(CNc2ccccc2)cc1)=C1/C(=O)Nc2cc(OC)c(OC)cc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.49
HIF1A Q16665 9/20 0.46
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 2/20 0.41
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 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
SCHEMBL6340169 1.00 RET (0.49) RETHIF1AKMT2AMEN1MAPT
SCHEMBL6329674 0.91 RET (0.48) RETKMT2AMEN1MAPTHDAC1
SCHEMBL6329682 0.91 RET (0.48) RETKMT2AMEN1MAPTHDAC1
SCHEMBL6333335 0.91 RET (0.54) RETALDH1A1
SCHEMBL6333341 0.91 RET (0.54) RETALDH1A1
SCHEMBL6336574 0.88 RET (0.43) RETKMT2AMEN1RAB9A
SCHEMBL6336573 0.88 RET (0.43) RETKMT2AMEN1RAB9A
SCHEMBL6338483 0.87 RET (0.42) RETKMT2AMEN1HDAC1HDAC2
SCHEMBL6338488 0.87 RET (0.42) RETKMT2AMEN1HDAC1HDAC2
SCHEMBL6340159 0.86 ACHE (0.48) RET

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