SCHEMBL6512106

SCHEMBL6512106

C#Cc1ccc(CC(=O)Nc2ccc([N+](=O)[O-])c(C#C[Si](C)(C)C)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
RECQL P46063 1/20 0.47
ALDH1A1 P00352 7/20 0.44
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.37
NTRK1 P04629 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL6512112 0.83 SMN1; SMN2 (0.47) LMNARECQLALDH1A1KMT2AMEN1
SCHEMBL6509526 0.81 AR (0.42) LMNARECQLALDH1A1KMT2AMEN1
SCHEMBL5067210 0.80 LMNA (0.38) LMNARECQLALDH1A1KMT2AMEN1
SCHEMBL6512099 0.74 MEN1 (0.44) LMNAALDH1A1KMT2AMEN1GAA
SCHEMBL29079336 0.68 BCHE (0.55) LMNAKMT2AMEN1GAASMN1; SMN2
SCHEMBL6515313 0.67 THRA (0.42) LMNARECQLALDH1A1KMT2ASMN1; SMN2
SCHEMBL6378337 0.66 MEN1 (0.44) LMNARECQLALDH1A1KMT2AMEN1
SCHEMBL6511910 0.65 HPGD (0.44) LMNAALDH1A1KMT2AMEN1GAA
SCHEMBL5067209 0.65 HTT (0.48) LMNAALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL20746132 0.65 GAA (0.50) LMNAKMT2AMEN1GAASMN1; 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 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