SCHEMBL11270736

SCHEMBL11270736

COC(=O)C(C)Oc1ccc(N(C)c2cnc3cc(Cl)ccc3n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CYP1A2 P05177 2/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
NFKB1 P19838 1/20 0.49
HIF1A Q16665 1/20 0.49
GMNN O75496 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
APEX1 P27695 1/20 0.49
PMP22 Q01453 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.38
CYP2C9 P11712 1/20 0.37

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
SCHEMBL11225749 0.90 MAPT (0.48) MAPTSMN1; SMN2CYP1A2LMNATP53
SCHEMBL11267584 0.90 CYP1A2 (0.51) MAPTSMN1; SMN2CYP1A2LMNATP53
SCHEMBL11264919 0.90 CYP1A2 (0.51) MAPTSMN1; SMN2CYP1A2LMNATP53
SCHEMBL11267012 0.88 MAPT (0.46) MAPTSMN1; SMN2CYP1A2LMNATP53
SCHEMBL11273121 0.88 CYP1A2 (0.65) MAPTSMN1; SMN2CYP1A2LMNATP53
SCHEMBL10915313 0.86 MAPT (0.47) MAPTSMN1; SMN2CYP1A2LMNATP53
SCHEMBL10684245 0.85 MAPT (0.47) MAPTSMN1; SMN2CYP1A2LMNATP53
SCHEMBL29371056 0.83 MAPT (0.70) MAPTSMN1; SMN2CYP1A2LMNATP53
SCHEMBL2042610 0.83 MAPT (0.70) MAPTSMN1; SMN2CYP1A2LMNATP53
SCHEMBL30022404 0.83 MAPT (0.70) MAPTSMN1; SMN2CYP1A2LMNATP53

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
US-4358307-A PREFERENTIAL CONTROLLING OF MONOCOTYLEDONS IN CROPS ICI AUSTRALIA LIMITED (AU) 1982-11-09 US disclosed
EP-0026622-A2 Quinoxalinylaminophenoxyalkane carboxylic acid derivatives, their preparation, their use as herbicides and intermediates ICI AUSTRALIA LIMITED (AU) 1981-04-08 EP disclosed