SCHEMBL5489592

SCHEMBL5489592

CCCN(CCC)c1ccc(C(F)(F)F)c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.47
CYP3A4 P08684 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.47
ALDH3A1 P30838 4/20 0.45
HCAR3 P49019 2/20 0.44
AR P10275 5/20 0.39
MAPT P10636 2/20 0.37
ESR1 P03372 1/20 0.35
CRHR1 P34998 1/20 0.34
ALDH1A3 P47895 2/20 0.33
ALDH1A1 P00352 2/20 0.33
EPAS1 Q99814 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL27406411 0.80 CYP3A4 (0.58) MAPK1CYP3A4TDP1TSHRALDH3A1
SCHEMBL8055524 0.78 ALDH3A1 (0.49) MAPK1CYP3A4TDP1TSHRALDH3A1
SCHEMBL9708914 0.77 MAPK1 (0.51) MAPK1CYP3A4TDP1TSHRALDH3A1
SCHEMBL28271263 0.75 CYP3A4 (0.52) MAPK1CYP3A4TDP1TSHRALDH3A1
SCHEMBL30182953 0.75 CYP3A4 (0.52) MAPK1CYP3A4TDP1TSHRALDH3A1
SCHEMBL10971873 0.73 CYP3A4 (0.57) MAPK1CYP3A4TDP1TSHRALDH3A1
SCHEMBL10512417 0.72 MAPK1 (0.68) MAPK1CYP3A4TDP1TSHRALDH3A1
SCHEMBL8387943 0.72 ALDH3A1 (0.44) MAPK1CYP3A4TDP1TSHRALDH3A1
SCHEMBL414469 0.71 ALDH3A1 (0.51) MAPK1CYP3A4TDP1TSHRALDH3A1
SCHEMBL27385554 0.70 CYP3A4 (0.62) MAPK1CYP3A4TDP1TSHRALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007062198-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY ADVANCED CELL TECHNOLOGY, INC. (US) 2007-05-31 WO disclosed
EP-0422470-A2 Thiazolcarboxylic acid amide derivatives BAYER AG (DE) 1991-04-17 EP disclosed
EP-0348736-A1 Substituted thiadiazolyloxy acetamides BAYER AG (DE) 1990-01-03 EP disclosed
EP-0224019-A2 1-Aryl-4-nitropyrazole BAYER AG (DE) 1987-06-03 EP disclosed