SCHEMBL15725992

SCHEMBL15725992

Cc1ccc2sc3cc(C)c4ccccc4c3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
POLB P06746 3/20 0.44
GAA P10253 1/20 0.44
GPR3 P46089 1/20 0.39
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2A6 P11509 3/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
PMM2 O15305 1/20 0.35
MPI P34949 1/20 0.35
PHOSPHO1 Q8TCT1 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL12433612 0.86 MAPT (0.41) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL11992362 0.85 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL12433600 0.83 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL18810716 0.79 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL9779043 0.79 CYP2A6 (0.47) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL257003 0.77 GPR3 (0.61) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL23348122 0.77 SMN1; SMN2 (0.40) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL2541713 0.77 CYP1A2 (0.47) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL26293051 0.77 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL18810728 0.76 HSD17B10 (0.42) ALDH1A1MEN1KMT2AMAPTPOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2732479-B1 COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-11 EP disclosed
US-9583717-B2 Compounds for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-02-28 US disclosed
US-9583717-B2 Compounds for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-02-28 US disclosed
US-20140138661-A1 COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2014-05-22 US disclosed
US-20140138661-A1 COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2014-05-22 US disclosed