SCHEMBL10445656

SCHEMBL10445656

Bc1ccc(SC#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAPT P10636 4/20 0.52
CA2 P00918 1/20 0.48
CA5A P35218 1/20 0.48
POLB P06746 1/20 0.38
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA2 P47869 1/20 0.33
GFER P55789 1/20 0.32

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
SCHEMBL4408306 0.86 ALDH1A1 (0.64) ALDH1A1MAPTCA2CA5APOLB
SCHEMBL469852 0.74 ALDH1A1 (0.52) ALDH1A1MAPTCA2CA5APOLB
SCHEMBL6245448 0.74 MAPT (0.52) ALDH1A1MAPTCA2CA5APOLB
SCHEMBL5273565 0.74 CA2 (0.54) ALDH1A1MAPTCA2CA5APOLB
SCHEMBL171086 0.74 MAPT (0.58) ALDH1A1MAPTCA2CA5APOLB
SCHEMBL126505 0.74 CA2 (0.54) ALDH1A1MAPTCA2CA5APOLB
SCHEMBL19605694 0.74 MAPT (0.58) ALDH1A1MAPTCA2CA5APOLB
SCHEMBL17448755 0.74 ALDH1A1 (0.52) ALDH1A1MAPTCA2CA5APOLB
SCHEMBL1525245 0.74 ALDH1A1 (0.52) ALDH1A1MAPTCA2CA5APOLB
SCHEMBL27829862 0.74 ALDH1A1 (0.52) ALDH1A1MAPTCA2CA5APOLB

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
US-8222807-B2 Organic electroluminescence device and method of producing organic device MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-17 US disclosed
US-20100090590-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND METHOD OF PRODUCING ORGANIC DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2010-04-15 US disclosed
US-20100045174-A1 COMPOSITION FOR USE IN ORGANIC DEVICE, POLYMER FILM, AND ORGANIC ELECTROLUMINESCENT ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2010-02-25 US disclosed
US-20090309070-A1 COMPOSITIONS FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-17 US disclosed
US-20090033208-A1 FILM FORMING COMPOSITION AND ORGANIC ELECTROLUMINESCENT DEVICE PIONEER CORPORATION (JP) 2009-02-05 US disclosed