SCHEMBL4034270

SCHEMBL4034270

CC(C)Oc1ccc(I)cc1C(=O)N[C@](C)(O)Cc1c[nH]c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 2/20 0.42
POLB P06746 2/20 0.42
APAF1 O14727 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TACR1 P25103 7/20 0.41
TACR3 P29371 1/20 0.41
KCNA5 P22460 1/20 0.41
NMBR P28336 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
ACE P12821 1/20 0.40
ANO1 Q5XXA6 1/20 0.39
GAA P10253 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
SCHEMBL5149351 0.86 ANO1 (0.41) KMT2AMEN1KDM4ETACR1KCNA5
SCHEMBL4038448 0.86 KMT2A (0.42) KMT2AMEN1KDM4EPOLBAPAF1
SCHEMBL4035462 0.84 KMT2A (0.41) KMT2AMEN1KDM4EPOLBAPAF1
SCHEMBL4037073 0.82 KMT2A (0.39) KMT2AMEN1MAPTTACR1TACR3
SCHEMBL3939262 0.81 MEN1 (0.46) KMT2AMEN1KDM4EPOLBAPAF1
SCHEMBL4033975 0.80 MAPT (0.39) KMT2AMEN1KDM4EMAPTRECQL
SCHEMBL4029965 0.79 CDK4 (0.47) KMT2AMEN1MAPTNMBRALDH1A1
SCHEMBL4031864 0.78 MAPT (0.40) KMT2AMEN1POLBMAPTTACR1
SCHEMBL4169038 0.78 ITGB2 (0.45) KMT2AMEN1KDM4EPOLBAPAF1
SCHEMBL3944251 0.78 CTSL (0.45) KMT2AMEN1KDM4EPOLBAPAF1

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-2019102-A1 Alkylacetylene substituted Acyltryptophanols Bayer Schering Pharma AG (DE) 2009-01-28 EP disclosed