SCHEMBL1379092

SCHEMBL1379092

O=C1[C][N+](=O)Oc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
ALOX15 P16050 1/20 0.34
MAOA P21397 3/20 0.32
MAOB P27338 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CDC25B P30305 2/20 0.32
POLB P06746 2/20 0.31
KDM4E B2RXH2 3/20 0.31
LMNA P02545 2/20 0.31
CES2 O00748 1/20 0.31
APAF1 O14727 1/20 0.31
TERT O14746 1/20 0.31
NPC1 O15118 1/20 0.31
PLIN1 O60240 1/20 0.31
TDP2 O95551 1/20 0.31
S1PR4 O95977 1/20 0.31
PLA2G1B P04054 1/20 0.31

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
SCHEMBL556071 0.66 TDP1 (0.40) PKMTSHRTDP1ALOX15MAOA
SCHEMBL1553785 0.65 MAOB (0.42) PKMTSHRTDP1ALOX15MAOA
SCHEMBL4347020 0.63 ALOX15 (0.42) PKMTSHRTDP1ALOX15MAOA
SCHEMBL4347018 0.63 ALOX15 (0.42) PKMTSHRTDP1ALOX15MAOA
SCHEMBL3098842 0.62 CYP19A1 (0.38) PKMTSHRMAOBMEN1KMT2A
SCHEMBL2512510 0.61 PKM (0.36) PKMTSHRTDP1ALOX15MAOA
SCHEMBL15101248 0.60 ALDH1A1 (0.41) PKMTSHRTDP1ALOX15MAOA
SCHEMBL19754922 0.58 TDP1 (0.63) PKMTSHRTDP1ALOX15MAOA
SCHEMBL30320031 0.58 TDP1 (0.63) PKMTSHRTDP1ALOX15MAOA
SCHEMBL12691224 0.58 TDP1 (0.63) PKMTSHRTDP1ALOX15MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4658477-B2 2011-03-23 JP claimed
EP-1471915-A4 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2006-02-15 EP claimed
JP-2005516046-A 2005-06-02 JP claimed
EP-1534286-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS Rigel Pharmaceuticals, Inc. (US) 2005-06-01 EP claimed
EP-1471915-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2004-11-03 EP claimed
WO-2004014382-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS (US) 2004-02-19 WO claimed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 WO claimed
EP-1951261-A4 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY DISORDERS RIGEL PHARMACEUTICALS INC (US) 2009-06-24 EP disclosed
EP-1951261-A2 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY DISORDERS Rigel Pharmaceuticals, Inc. (US) 2008-08-06 EP disclosed
WO-2007053844-A2 COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY DISORDERS RIGEL PHARMACEUTICALS, INC. (US) 2007-05-10 WO disclosed