SCHEMBL11099340

SCHEMBL11099340

CN(c1ccc(O)cc1)c1nnc2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
RAB9A P51151 2/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
MMP13 P45452 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MERTK Q12866 4/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL11097842 0.80 PIK3CG (0.44) GRIA1MEN1KMT2ANPC1LMNA
SCHEMBL11245974 0.80 PDPK1 (0.36) MAPTTSHRMAPK1MERTKPDPK1
SCHEMBL17042383 0.77 MEN1 (0.51) GRIA1MEN1KMT2ANPC1LMNA
SCHEMBL12589727 0.76 NPC1 (0.45) GRIA1MEN1KMT2ANPC1LMNA
SCHEMBL11121196 0.73 MEN1 (0.37) GRIA1MEN1KMT2ANPC1LMNA
SCHEMBL11275692 0.72 KMT2A (0.47) GRIA1MEN1KMT2ANPC1LMNA
SCHEMBL10913638 0.70 NCF1 (0.58) GRIA1MEN1KMT2ANPC1LMNA
SCHEMBL2947867 0.69 MEN1 (0.50) GRIA1MEN1KMT2ANPC1LMNA
SCHEMBL9480557 0.69 MEN1 (0.50) GRIA1MEN1KMT2ANPC1LMNA
SCHEMBL10965212 0.69 CASP1 (0.39) GRIA1MEN1KMT2ANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0024931-B1 1,2,4-BENZOTRIAZINYLAMINOPHENOXYALKANE CARBOXYLIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES ICI AUSTRALIA LIMITED (AU) 1984-10-17 EP disclosed
US-4310347-A Herbicidal 1,2,4-benzotriazines ICI AUSTRALIA LIMITED (AU) 1982-01-12 US disclosed
EP-0024931-A2 1,2,4-Benzotriazinylaminophenoxyalkane carboxylic acid derivatives, processes for their preparation and their use as herbicides ICI AUSTRALIA LIMITED (AU) 1981-03-11 EP disclosed