SCHEMBL1496732

SCHEMBL1496732

O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.63
MEN1 O00255 7/20 0.63
KMT2A Q03164 7/20 0.63
MAPT P10636 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
HTT P42858 2/20 0.63
ALDH1A1 P00352 5/20 0.55
RECQL P46063 1/20 0.55
TRPV1 Q8NER1 1/20 0.53
POLB P06746 1/20 0.53
CA1 P00915 1/20 0.52
MMP2 P08253 1/20 0.52
CA14 Q9ULX7 1/20 0.52
PGR P06401 1/20 0.52
CYP3A4 P08684 1/20 0.52
AR P10275 1/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
RAB9A P51151 1/20 0.52
MCL1 Q07820 1/20 0.52

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
SCHEMBL3977028 0.87 LMNA (0.62) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4407570 0.85 LMNA (0.54) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7699542 0.85 AR (0.52) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL14224501 0.84 MAPT (0.54) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2853073 0.83 LMNA (0.73) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2853072 0.83 LMNA (0.73) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL26788606 0.82 AR (0.50) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5523784 0.81 MEN1 (0.67) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL20560143 0.81 LMNA (0.67) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL584346 0.81 ALDH1A1 (0.73) LMNAMEN1KMT2AMAPTSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011023722-A1 NOVEL QUINOXALINONE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2011-03-03 WO disclosed
US-4182872-A CORRESPONDING 4-CARBOBENZOXY COMPOUNDS, 2,3,4,4A-TETRAHYDRO-1H-PYRAZINO(1,2-A)QUINOXALIN-5(6H)-ONES, 2,3,4,4A,5,6-HEXAHYDRO-1H-PYRAZINO(1,2-A)QUINOXALINES, HYPOTENSIVE AMERICAN HOME PRODUCTS CORPORATION (US) 1980-01-08 US disclosed
US-4182869-A HYPOTENSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1980-01-08 US disclosed
US-4138567-A HYPOTENSIVE AMERICAN HOME PRODUCTS CORPORATION (US) 1979-02-06 US disclosed
US-4089958-A HYPOTENSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1978-05-16 US disclosed
US-4032639-A 2,3,4,4A-Tetrahydro-1H-pyrazino[1,2-a,]quinoxalin-5(6H)-ones and derivatives thereof for relieving hypertension AMERICAN HOME PRODUCTS CORPORATION (US) 1977-06-28 US disclosed