SCHEMBL6378337

SCHEMBL6378337

O=C(CBr)Nc1ccc([N+](=O)[O-])c(C#Cc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 6/20 0.43
HTT P42858 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 5/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
AR P10275 2/20 0.40
GBA1 P04062 1/20 0.40
PTPN11 Q06124 1/20 0.39

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
SCHEMBL6515313 0.81 THRA (0.42) KMT2AALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL6509526 0.81 AR (0.42) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL5072232 0.78 MEN1 (0.47) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL5069543 0.75 CYP19A1 (0.50) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL11638101 0.74 ALDH1A1 (0.59) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL28355465 0.74 LMNA (0.51) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL15988986 0.74 CASP6 (0.57) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL31037248 0.73 AR (0.43) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL28623263 0.73 FFAR1 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL28760470 0.71 TSHR (0.50) ALDH1A1LMNACYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542869-A2 MOLECULAR SCALE ELECTRONIC DEVICES Yale University (US) 2005-06-22 EP disclosed
EP-1542869-A4 MOLECULAR SCALE ELECTRONIC DEVICES UNIV YALE (US) 2005-06-22 EP disclosed
US-20050101063-A1 Three-terminal field-controlled molecular devices TOUR JAMES M (US) 2005-05-12 US disclosed
US-6756605-B1 Molecular scale electronic devices YALE UNIVERSITY 2004-06-29 US disclosed
WO-2001027972-A9 MOLECULAR SCALE ELECTRONIC DEVICES UNIV YALE (US) 2002-11-14 WO disclosed
WO-2002035580-A2 THREE-TERMINAL FIELD-CONTROLLED MOLECULAR DEVICES MOLECULAR ELECTRONICS CORPORATION (US) 2002-05-02 WO disclosed
WO-2001027972-A2 MOLECULAR SCALE ELECTRONIC DEVICES YALE UNIVERSITY (US) 2001-04-19 WO disclosed