SCHEMBL6788554

SCHEMBL6788554

O=C(c1ccccc1)c1ccc2c(c1)Sc1ccc(C(=O)c3ccccc3)cc1S2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 2/20 0.56
NOX1 Q9Y5S8 1/20 0.55
SRD5A2 P31213 1/20 0.54
RAB9A P51151 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 3/20 0.50
PBRM1 Q86U86 1/20 0.50
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
HPGD P15428 2/20 0.46
GLA P06280 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL9507627 1.00 ATM (0.59) ATMTDP1L3MBTL1ALDH1A1NOX1
Benzophenone SCHEMBL21753126 0.85 ALDH1A1 (0.70) ATMTDP1L3MBTL1ALDH1A1NOX1
SCHEMBL30944690 0.82 PLEC (0.51) TDP1L3MBTL1NOX1SRD5A2MEN1
SCHEMBL2639219 0.82 PLEC (0.51) TDP1L3MBTL1NOX1SRD5A2MEN1
SCHEMBL68522 0.79 TSHR (0.50) TDP1L3MBTL1ALDH1A1SRD5A2RAB9A
SCHEMBL12106079 0.79 TSHR (0.50) TDP1L3MBTL1ALDH1A1SRD5A2RAB9A
SCHEMBL6025191 0.78 NOX1 (0.42) TDP1L3MBTL1NOX1MEN1KMT2A
SCHEMBL24220378 0.78 NOX1 (0.70) TDP1L3MBTL1NOX1RAB9AMEN1
SCHEMBL343025 0.78 NOX1 (0.57) ATMTDP1L3MBTL1ALDH1A1NOX1
SCHEMBL9066312 0.78 ALDH1A1 (0.93) ATMTDP1L3MBTL1ALDH1A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040038076-A1 Poly (paraphenylenevinylene) derivatives and their use as electroluminescence materials KREUDER WILLI (DE) 2004-02-26 US disclosed
CN-1122696-C Poly (p-phenylene vinylene) derivatives and their use as electroluminescent materials HOECHST AG (DE) 2003-10-01 CN disclosed
EP-0783555-B1 POLY(PARAPHENYLENE VINYLENE) DERIVATIVES AND THEIR USE AS ELECTROLUMINESCENT MATERIALS COVION ORGANIC SEMICONDUCTORS (DE) 2002-12-11 EP disclosed
EP-0938488-B1 PHOSPHINE LIGANDS OXFORD ASYMMETRY INTERNAT PLC (GB) 2002-01-02 EP disclosed
US-20010031378-A1 Poly (paraphenylenevinylene) derivatives and their use as electroluminescence materials KREUDER WILLI (DE) 2001-10-18 US disclosed
CN-1159204-A Poly (p-phenylene vinylene) derivatives and their use as electroluminescent materials HOECHST AG (DE) 1997-09-10 CN disclosed
EP-0783555-A1 POLY(PARAPHENYLENE VINYLENE) DERIVATIVES AND THEIR USE AS ELECTROLUMINESCENT MATERIALS HOECHST AKTIENGESELLSCHAFT (DE) 1997-07-16 EP disclosed
WO-1996010617-A1 POLY(PARAPHENYLENE VINYLENE) DERIVATIVES AND THEIR USE AS ELECTROLUMINESCENT MATERIALS HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-11 WO disclosed
EP-0399293-B1 PROCESS FOR PREPARING 2-CHLORO-4-NITRO-ALKYLBENZENE BAYER AG (DE) 1993-09-01 EP disclosed
US-5095157-A Friedel-crafts catalyst BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed
EP-0399293-A1 Process for preparing 2-chloro-4-nitro-alkylbenzene BAYER AG (DE) 1990-11-28 EP disclosed