SCHEMBL5547478

SCHEMBL5547478

CN(C)Nc1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
MAPT P10636 5/20 0.48
LMNA P02545 4/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NOX1 Q9Y5S8 1/20 0.47
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46

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
SCHEMBL28995906 0.80 KMT2A (0.50) GAAKMT2AMEN1MAPTLMNA
SCHEMBL11768312 0.79 MEN1 (0.46) GAAKMT2AMEN1MAPTLMNA
SCHEMBL11305899 0.78 MEN1 (0.44) GAAKMT2AMEN1MAPTLMNA
SCHEMBL10934938 0.76 MAPT (0.54) GAAKMT2AMEN1MAPTHTT
SCHEMBL103824 0.75
SCHEMBL29695670 0.75
SCHEMBL10413245 0.74 MAPT (0.33) GAAKMT2AMEN1MAPTHTT
SCHEMBL8795345 0.74 MAPT (0.61) GAAKMT2AMEN1MAPTLMNA
SCHEMBL19688329 0.74 MAPT (0.49) GAAKMT2AMEN1MAPTLMNA
SCHEMBL1686631 0.74 FADS1 (0.59) GAAKMT2AMEN1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002000649-A9 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2007-09-20 WO disclosed
CN-1496364-A Substituted quinazoline derivatives and their use as inhibitors 2004-05-12 CN disclosed
EP-1299381-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS AstraZeneca AB (SE) 2003-04-09 EP disclosed
WO-2002000649-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS INHIBITORS ASTRAZENECA AB (SE) 2002-01-03 WO disclosed
US-4248591-A HAIR DYES L'OREAL (FR) 1981-02-03 US disclosed
US-4221729-A HAIR DYES L'OREAL (FR) 1980-09-09 US disclosed
US-3977825-A Indoanilines in keratinic fiber dye cmpositions L'OREAL (FR) 1976-08-31 US disclosed