SCHEMBL6940359

SCHEMBL6940359

Cc1ccc2c(c1)c1cc3c(cc1n2C)c1cc(C)ccc1n3C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.53
ACHE P22303 2/20 0.53
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
NR1I2 O75469 1/20 0.49
AHR P35869 1/20 0.49
MAPT P10636 8/20 0.47
KDM4E B2RXH2 7/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 2/20 0.47
APAF1 O14727 1/20 0.47
PKM P14618 1/20 0.47
IDO1 P14902 1/20 0.47
MAPK1 P28482 1/20 0.47
MCL1 Q07820 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RXFP1 Q9HBX9 1/20 0.44
GPR3 P46089 1/20 0.42
USP2 O75604 2/20 0.41

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
SCHEMBL793546 0.95 BCHE (0.56) BCHEACHEMEN1KMT2ANR1I2
SCHEMBL20466817 0.91 BCHE (0.54) BCHEACHEMEN1KMT2ANR1I2
SCHEMBL17852837 0.90 GPR3 (0.61) BCHEACHEMEN1KMT2ANR1I2
SCHEMBL862779 0.89 BCHE (0.49) BCHEACHEMEN1KMT2ANR1I2
SCHEMBL13412890 0.87 KDM4E (0.49) BCHEACHEMEN1KMT2ANR1I2
SCHEMBL11998153 0.86 BCHE (0.50) BCHEACHEMEN1KMT2ANR1I2
SCHEMBL14900745 0.86 BCHE (0.50) BCHEACHEMEN1KMT2ANR1I2
SCHEMBL11992360 0.86 BCHE (0.45) BCHEACHEMEN1KMT2ANR1I2
SCHEMBL18027933 0.85 BCHE (0.49) BCHEACHEMEN1KMT2ANR1I2
SCHEMBL881552 0.85 GPR3 (0.67) BCHEACHEMEN1KMT2ANR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431680-B2 Semiconductor materials based on thienothiophene-2,5-dione oligomers and polymers BASF SE (DE) 2013-04-30 US disclosed
US-20120296058-A1 SEMICONDUCTOR MATERIALS BASED ON THIENOTHIOPHENE-2,5-DIONE OLIGOMERS AND POLYMERS BASF SE (DE) 2012-11-22 US disclosed
EP-0906947-B1 Indolocarbazole electroluminescent devices XEROX CORP (US) 2003-05-21 EP disclosed
EP-0906947-A1 Indolocarbazole electroluminescent devices XEROX CORPORATION (US) 1999-04-07 EP disclosed