SCHEMBL4037079

SCHEMBL4037079

CC(C)Oc1ccc(C#CCCCC#N)cc1C(=O)N[C@H](O)C(C)c1c[nH]c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
CTSL P07711 2/20 0.35
MAPT P10636 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MCL1 Q07820 1/20 0.34
CDK2 P24941 1/20 0.34
CTSC P53634 1/20 0.34
LMNA P02545 1/20 0.34
ALOX5 P09917 1/20 0.33
EPHX2 P34913 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
THRB P10828 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL4037068 1.00 KMT2A (0.40) KMT2AMEN1CTSLMAPTL3MBTL1
SCHEMBL4032288 0.93 KMT2A (0.41) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL4032286 0.93 KMT2A (0.41) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL4035465 0.91 KMT2A (0.42) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL4035456 0.91 KMT2A (0.42) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL4033976 0.90 MEN1 (0.39) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL4033972 0.90 MEN1 (0.39) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL4034832 0.84 MEN1 (0.39) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL4034834 0.84 MEN1 (0.39) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL4038446 0.84 KMT2A (0.43) KMT2AMEN1MAPTL3MBTL1ALDH1A1

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