SCHEMBL6016562

SCHEMBL6016562

CCOc1cc(OCC)cc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
PTGS2 P35354 1/20 0.54
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.47
HTT P42858 2/20 0.47
MAPK1 P28482 2/20 0.46
RECQL P46063 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.45
MAOB P27338 1/20 0.43
CYP19A1 P11511 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL11055090 0.96 MAPT (0.59) MAPTMEN1KMT2APTGS2ALDH1A1
SCHEMBL16958006 0.89 TSHR (0.59) MAPTMEN1KMT2APTGS2ALDH1A1
SCHEMBL20523662 0.87 CHRNB4 (0.54) MAPTMEN1KMT2APTGS2ALDH1A1
SCHEMBL29920545 0.87 CHRNB4 (0.54) MAPTMEN1KMT2APTGS2ALDH1A1
SCHEMBL16958004 0.87 MAPT (0.52) MAPTMEN1KMT2APTGS2ALDH1A1
SCHEMBL10879037 0.87 MAPT (0.78) MAPTMEN1KMT2APTGS2ALDH1A1
SCHEMBL11027196 0.87 MEN1 (0.52) MAPTMEN1KMT2APTGS2ALDH1A1
SCHEMBL16951504 0.84 MAPT (0.50) MAPTMEN1KMT2APTGS2ALDH1A1
SCHEMBL16958056 0.84 MAPT (0.50) MAPTMEN1KMT2APTGS2ALDH1A1
SCHEMBL14650152 0.83 MAPT (0.49) MAPTMEN1KMT2APTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1471915-A4 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2006-02-15 EP disclosed
EP-1471915-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2004-11-03 EP disclosed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 WO disclosed
US-4405626-A TRANQUILIZERS, HYPOTENSIVE AGENTS; DIURETICS; VISION DEFECTS PFIZER INC. (US) 1983-09-20 US disclosed
US-4400385-A TRANQUILIZERS, HYPOTENSIVE AGENTS; DIURETICS; VISION DEFECTS PFIZER INC. (US) 1983-08-23 US disclosed
US-4380542-A ANALGESICS, TRANQUILIZERS PFIZER (US) 1983-04-19 US disclosed
US-4340737-A CNS AGENTS, HYPOTENSIVES, DIURETICS AND AGENTS FOR TREATMENT OF GLAUCOMA PFIZER INC. (US) 1982-07-20 US disclosed
US-4260764-A ANALGESICS, TRANQUILIZERS PFIZER INC. (US) 1981-04-07 US disclosed