SCHEMBL5067210

SCHEMBL5067210

C[Si](C)(C)C#CCC(=O)Nc1ccc([N+](=O)[O-])c(C#C[Si](C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.38
RECQL P46063 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 7/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
AR P10275 4/20 0.37
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
CES2 O00748 1/20 0.36
ABCB11 O95342 1/20 0.36
GLA P06280 1/20 0.36
ADORA3 P0DMS8 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
SCHEMBL6509526 0.87 AR (0.42) LMNARECQLRAB9AALDH1A1KMT2A
SCHEMBL6512106 0.80 LMNA (0.47) LMNARECQLRAB9AALDH1A1KMT2A
SCHEMBL6512112 0.79 SMN1; SMN2 (0.47) LMNARECQLALDH1A1KMT2AMEN1
SCHEMBL5067209 0.70 HTT (0.48) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL6512099 0.69 MEN1 (0.44) LMNARAB9AALDH1A1KMT2AMEN1
SCHEMBL6378337 0.68 MEN1 (0.44) LMNARECQLRAB9AALDH1A1KMT2A
SCHEMBL8718043 0.68 ALDH1A1 (0.56) LMNARECQLRAB9AALDH1A1KMT2A
SCHEMBL2910616 0.66 HSD17B10 (0.46) RECQLRAB9AALDH1A1KMT2AMEN1
SCHEMBL11435499 0.66 CYP1A2 (0.50) LMNARECQLALDH1A1KMT2AMEN1
SCHEMBL14252943 0.66 AR (0.53) ARCYP3A4PGR

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
EP-1319231-A4 PROGRAMMABLE MOLECULAR DEVICE UNIV WM MARSH RICE (US) 2008-11-19 EP disclosed
US-20050101063-A1 Three-terminal field-controlled molecular devices TOUR JAMES M (US) 2005-05-12 US disclosed
EP-1319231-A1 PROGRAMMABLE MOLECULAR DEVICE Wm. MARSH RICE UNIVERSITY (US) 2003-06-18 EP disclosed
US-20030058697-A1 Programmable molecular device NAVY, SECRETARY OF THE, UNITED STATES OF AMERICA OFFICE OF NAVAL RESEARCH 2003-03-27 US disclosed
WO-2002035580-A2 THREE-TERMINAL FIELD-CONTROLLED MOLECULAR DEVICES MOLECULAR ELECTRONICS CORPORATION (US) 2002-05-02 WO disclosed
WO-2002009117-A1 PROGRAMMABLE MOLECULAR DEVICE WM. MARSH RICE UNIVERSITY (US) 2002-01-31 WO disclosed