SCHEMBL4649699

SCHEMBL4649699

CN(Cc1ccccc1)c1ccc(C(c2ccc(N(C)Cc3ccccc3)c([N+](=O)[O-])c2)(C(F)(F)F)C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
LMNA P02545 1/20 0.54
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.48
TP53 P04637 1/20 0.46
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
MAPK1 P28482 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42

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
SCHEMBL21624300 0.81 MAPT (0.61) MAPTLMNAMEN1KMT2APOLB
SCHEMBL5281106 0.79 MAPT (0.62) MAPTLMNAMEN1KMT2APOLB
SCHEMBL7097045 0.79 MAPT (0.52) MAPTLMNAMEN1KMT2APOLB
SCHEMBL30936706 0.77 MAPT (0.59) MAPTLMNAMEN1KMT2APOLB
SCHEMBL11448393 0.74 MEN1 (0.58) MAPTLMNAMEN1KMT2APOLB
SCHEMBL7097696 0.73 LMNA (0.51) MAPTLMNAMEN1KMT2APOLB
SCHEMBL3511846 0.73 MAPT (0.52) MAPTLMNAMEN1KMT2APOLB
SCHEMBL9575409 0.72 MAPT (0.55) MAPTLMNAMEN1KMT2APOLB
SCHEMBL9575567 0.72 HPGD (0.55) MAPTLMNAMEN1KMT2APOLB
SCHEMBL7100942 0.72 LMNA (0.50) MAPTLMNAMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1245635-B1 FLUOROELASTOMER COMPOSITION FOR CROSSLINKING DAIKIN IND LTD (JP) 2008-09-03 EP disclosed
US-6878778-B1 Fluoroelastomer composition for crosslinking DAIKIN INDUSTRIES, LTD. (JP) 2005-04-12 US disclosed
EP-1245635-A1 FLUOROELASTOMER COMPOSITION FOR CROSSLINKING Daikin Industries, Ltd. (JP) 2002-10-02 EP disclosed