SCHEMBL5025416

SCHEMBL5025416

CCC(F)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
MAPK1 P28482 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
PHLPP2 Q6ZVD8 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 5/20 0.49
LOXL2 Q9Y4K0 1/20 0.47
HSD17B10 Q99714 2/20 0.47
ACHE P22303 1/20 0.47
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
RECQL P46063 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL11697720 0.82 ALDH1A1 (0.50) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL26545616 0.81 ALDH1A1 (0.49) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL19928087 0.80 ALDH1A1 (0.52) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL11695567 0.79 HSD17B10 (0.54) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL7945836 0.79 KMT2A (0.52) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL9319273 0.79 KMT2A (0.52) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL9319278 0.79 KMT2A (0.52) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL16806060 0.78 ALDH1A1 (0.50) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL16806066 0.78 ALDH1A1 (0.50) MAPTL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL9026246 0.78 ALDH1A1 (0.50) MAPTL3MBTL1MAPK1CYP1A2CYP3A4

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
EP-1904457-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Rigel Pharmaceuticals, Inc. (US) 2008-04-02 EP disclosed
WO-2006133426-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2006-12-14 WO disclosed