SCHEMBL4034396

SCHEMBL4034396

CC(c1c[nH]c2ccccc12)[C@@H](O)NC(=O)c1cccc(C#CCN(C)[C@H](C)[C@@H](C)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
EPHX2 P34913 1/20 0.44
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
NOD2 Q9HC29 1/20 0.39
MGAM O43451 6/20 0.38
GAA P10253 6/20 0.38
SI P14410 6/20 0.38
MGAM2 Q2M2H8 6/20 0.38
MCL1 Q07820 2/20 0.38
TACR1 P25103 2/20 0.37
CTSL P07711 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.36
CDK4 P11802 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
SCHEMBL4034394 1.00 ALOX5 (0.44) ALOX5EPHX2MEN1KMT2AMAPT
SCHEMBL4028884 0.87 ALOX5 (0.47) ALOX5EPHX2MEN1KMT2AMAPT
SCHEMBL4028875 0.87 ALOX5 (0.47) ALOX5EPHX2MEN1KMT2AMAPT
SCHEMBL4034832 0.84 MEN1 (0.39) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL4034834 0.84 MEN1 (0.39) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL4039237 0.83 ALOX5 (0.44) ALOX5EPHX2MEN1KMT2AMAPT
SCHEMBL4039229 0.83 ALOX5 (0.44) ALOX5EPHX2MEN1KMT2AMAPT
SCHEMBL4034574 0.83 ALOX5 (0.47) ALOX5EPHX2MEN1KMT2AMAPT
SCHEMBL4034815 0.83 ALOX5 (0.46) ALOX5EPHX2MEN1KMT2AMAPT
SCHEMBL4034578 0.83 ALOX5 (0.47) ALOX5EPHX2MEN1KMT2AMAPT

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