SCHEMBL8936725

SCHEMBL8936725

CN(C(=O)C(F)(F)F)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 2/20 0.38
FSCN1 Q16658 1/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
PDE7A Q13946 1/20 0.38
POLB P06746 1/20 0.38
HCAR3 P49019 1/20 0.38
VCAM1 P19320 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL3486789 0.82 TSHR (0.50) MAPK1TSHRALDH1A1SMN1; SMN2NPSR1
SCHEMBL3486787 0.82 TSHR (0.50) MAPK1TSHRALDH1A1SMN1; SMN2NPSR1
SCHEMBL11293523 0.81 PDK1 (0.43) TSHRALDH1A1NPSR1POLBHCAR3
SCHEMBL16753005 0.79 MAPK1 (0.46) MAPK1TSHRALDH1A1SMN1; SMN2NPSR1
SCHEMBL3247412 0.78 MAPK1 (0.43) MAPK1TSHRALDH1A1SMN1; SMN2NPSR1
SCHEMBL3199616 0.77 MAPK1 (0.58) MAPK1TSHRALDH1A1SMN1; SMN2NPSR1
SCHEMBL16752924 0.77 L3MBTL1 (0.48) MAPK1TSHRALDH1A1SMN1; SMN2NPSR1
SCHEMBL3487462 0.74 HCAR3 (0.51) MAPK1TSHRALDH1A1SMN1; SMN2NPSR1
SCHEMBL29686179 0.74 TSHR (0.50) MAPK1TSHRALDH1A1SMN1; SMN2NPSR1
SCHEMBL3487466 0.74 HCAR3 (0.51) MAPK1TSHRALDH1A1SMN1; SMN2NPSR1

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-5587392-A THERAPY FOR ESTROGEN DEPENDENT DISEASES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1996-12-24 US disclosed
EP-0684235-A1 Novel azolyl methyl phenyl derivatives having aromatase inhibitory activity MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-11-29 EP disclosed