SCHEMBL6509526

SCHEMBL6509526

C[Si](C)(C)C#Cc1cc(NC(=O)CBr)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.42
LMNA P02545 4/20 0.39
RECQL P46063 2/20 0.39
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 6/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
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
SCHEMBL5067210 0.87 LMNA (0.38) ARLMNARECQLRAB9AALDH1A1
SCHEMBL6512112 0.82 SMN1; SMN2 (0.47) LMNARECQLALDH1A1KMT2AMEN1
SCHEMBL6378337 0.81 MEN1 (0.44) ARLMNARECQLRAB9AALDH1A1
SCHEMBL6512106 0.81 LMNA (0.47) LMNARECQLRAB9AALDH1A1KMT2A
SCHEMBL11638101 0.77 ALDH1A1 (0.59) LMNARECQLRAB9AALDH1A1KMT2A
SCHEMBL5069543 0.75 CYP19A1 (0.50) ARLMNARECQLRAB9AALDH1A1
SCHEMBL6515313 0.75 THRA (0.42) LMNARECQLRAB9AALDH1A1KMT2A
SCHEMBL28355465 0.74 LMNA (0.51) ARLMNARECQLALDH1A1KMT2A
SCHEMBL5067209 0.71 HTT (0.48) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL14252945 0.71 AR (0.67) ARCYP3A4

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