SCHEMBL15775647

SCHEMBL15775647

COC(=O)c1ccsc1-c1ccc2cc(-c3sccc3C(=O)OC)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.53
SLC6A2 P23975 4/20 0.53
SLC6A4 P31645 1/20 0.53
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTGS1 P23219 1/20 0.44
KDM4E B2RXH2 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 2/20 0.42
ATM Q13315 1/20 0.42
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
CYP19A1 P11511 1/20 0.40
ALPL P05186 1/20 0.40

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
SCHEMBL17010936 0.86 PTGS1 (0.53) SLC6A3SLC6A4KMT2AMEN1SMN1; SMN2
SCHEMBL15791322 0.83 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4KMT2AMEN1
SCHEMBL5445652 0.81 PTGS1 (0.49) KMT2AMEN1SMN1; SMN2PTGS1KDM4E
SCHEMBL14564435 0.81 ALDH1A1 (0.49) KMT2AMEN1SMN1; SMN2PTGS1KDM4E
SCHEMBL5445969 0.80 PTGS1 (0.48) KMT2AMEN1SMN1; SMN2PTGS1KDM4E
SCHEMBL7130579 0.80 CA12 (0.46) KMT2AMEN1SMN1; SMN2KDM4ETDP1
SCHEMBL3321379 0.79 KDM4E (0.56) KMT2AMEN1SMN1; SMN2PTGS1KDM4E
SCHEMBL20630141 0.79 KMT2A (0.47) KMT2AMEN1SMN1; SMN2PTGS1KDM4E
SCHEMBL15775800 0.79 ACMSD (0.46) KMT2AMEN1KDM4ECYP1A2CYP2D6
SCHEMBL5949785 0.78 ALDH1A1 (0.50) KMT2AMEN1SMN1; SMN2KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150333263-A1 POLYMER COMPRISING A NAPHTHALENE GROUP AND ITS USE IN ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-11-19 US disclosed
US-20150333263-A1 POLYMER COMPRISING A NAPHTHALENE GROUP AND ITS USE IN ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-11-19 US disclosed
US-20150333263-A1 POLYMER COMPRISING A NAPHTHALENE GROUP AND ITS USE IN ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-11-19 US disclosed
EP-2928939-A1 POLYMER COMPRISING A NAPHTHALENE GROUP AND ITS USE IN ORGANIC ELECTRONIC DEVICES Merck Patent GmbH (DE) 2015-10-14 EP disclosed
WO-2014086457-A1 POLYMER COMPRISING A NAPHTHALENE GROUP AND ITS USE IN ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2014-06-12 WO disclosed
WO-2014086457-A1 POLYMER COMPRISING A NAPHTHALENE GROUP AND ITS USE IN ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2014-06-12 WO disclosed