SCHEMBL6516643

SCHEMBL6516643

C#Cc1ccc(-c2cc([N+](=O)[O-])c(C#C)cc2N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
PTPN11 Q06124 1/20 0.42
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL6516638 0.78 PTPN11 (0.43) TDP1MAPTMEN1KMT2APOLB
SCHEMBL6509927 0.76 PTPN11 (0.53) TDP1MAPTMEN1KMT2APOLB
SCHEMBL14366638 0.73 CASP3 (0.44) TDP1MAPTMEN1KMT2APOLB
SCHEMBL9793498 0.73 PTPN11 (0.49) TDP1MAPTMEN1KMT2APOLB
SCHEMBL6512592 0.73 MAPT (0.40) TDP1MAPTMEN1KMT2APOLB
SCHEMBL11235678 0.72 ALDH1A1 (0.65) TDP1MEN1KMT2ATSHRALDH1A1
SCHEMBL2394881 0.72 MAPT (0.58) TDP1MAPTMEN1KMT2APOLB
SCHEMBL1754838 0.70 TDP1 (0.51) TDP1MAPTMEN1KMT2APOLB
SCHEMBL4404938 0.69 APP (0.39) MAPTMEN1KMT2APOLBALDH1A1
SCHEMBL17875621 0.68 ALDH1A1 (0.58) TDP1MAPTMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050101063-A1 Three-terminal field-controlled molecular devices TOUR JAMES M (US) 2005-05-12 US disclosed
WO-2002035580-A2 THREE-TERMINAL FIELD-CONTROLLED MOLECULAR DEVICES MOLECULAR ELECTRONICS CORPORATION (US) 2002-05-02 WO disclosed