SCHEMBL15065034

SCHEMBL15065034

N#CC(C#N)=Cc1ccc(Br)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.57
ALDH1A1 P00352 11/20 0.57
KMT2A Q03164 9/20 0.57
MEN1 O00255 8/20 0.57
KDM4E B2RXH2 8/20 0.57
LMNA P02545 4/20 0.57
NPSR1 Q6W5P4 3/20 0.57
POLB P06746 2/20 0.57
MAPK1 P28482 2/20 0.51
CISD1 Q9NZ45 2/20 0.50
THRB P10828 1/20 0.50
EGFR P00533 7/20 0.48
CYP3A4 P08684 4/20 0.46
HPGD P15428 4/20 0.46
BLM P54132 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TSHR P16473 3/20 0.46
NFKB1 P19838 3/20 0.46
PMP22 Q01453 3/20 0.46
CYP1A2 P05177 3/20 0.46

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
SCHEMBL5711848 0.78 ALDH1A1 (0.57) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL17466932 0.75 MAPT (1.00) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL31463690 0.75 ABL1 (0.33)
SCHEMBL2289800 0.75 ABL1 (0.33)
SCHEMBL9591757 0.74 MAPT (0.77) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL6880003 0.72 FDFT1 (0.31)
SCHEMBL6881208 0.70 FDFT1 (0.30)
SCHEMBL6881213 0.70 FDFT1 (0.30)
SCHEMBL6881217 0.70 FDFT1 (0.30)
Water SCHEMBL28840491 0.70 ALDH1A1 (0.41) ALDH1A1KDM4ELMNAPOLBSMN1; SMN2

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-9127020-B2 Evaporable organic semiconductive material and use thereof in an optoelectronic component HELIATEK GMBH (DE) 2015-09-08 US disclosed
US-9127020-B2 Evaporable organic semiconductive material and use thereof in an optoelectronic component HELIATEK GMBH (DE) 2015-09-08 US disclosed
EP-2483267-B9 EVAPORABLE ORGANICALLY SEMICONDUCTIVE MATERIAL AND USE THEREOF IN AN OPTOELECTRONIC COMPONENT HELIATEK GMBH (DE) 2014-05-14 EP disclosed
EP-2483267-B1 EVAPORABLE ORGANICALLY SEMICONDUCTIVE MATERIAL AND USE THEREOF IN AN OPTOELECTRONIC COMPONENT HELIATEK GMBH (DE) 2013-08-28 EP disclosed
US-20130167930-A1 EVAPORABLE ORGANIC SEMICONDUCTIVE MATERIAL AND USE THEREOF IN AN OPTOELECTRONIC COMPONENT HELIATEK GMBH (DE) 2013-07-04 US disclosed
US-20130167930-A1 EVAPORABLE ORGANIC SEMICONDUCTIVE MATERIAL AND USE THEREOF IN AN OPTOELECTRONIC COMPONENT HELIATEK GMBH (DE) 2013-07-04 US disclosed