SCHEMBL11264919

SCHEMBL11264919

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
NFKB1 P19838 1/20 0.51
HIF1A Q16665 1/20 0.51
GMNN O75496 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
APEX1 P27695 1/20 0.51
PMP22 Q01453 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAP4K4 O95819 2/20 0.45
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL11267584 0.92 CYP1A2 (0.51) CYP1A2ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL11270736 0.90 MAPT (0.49) CYP1A2ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL11273121 0.90 CYP1A2 (0.65) CYP1A2ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL11264953 0.89 CYP1A2 (0.43) CYP1A2ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL11225749 0.88 MAPT (0.48) CYP1A2ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL11264161 0.87 SCN9A (0.41) CYP1A2ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL11260337 0.87 CYP1A2 (0.38) CYP1A2ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL11267012 0.86 MAPT (0.46) CYP1A2ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL11403854 0.86 MAP4K4 (0.43) CYP1A2ALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL10963800 0.83 MAP4K4 (0.42) CYP1A2ALDH1A1SMN1; SMN2TP53CYP3A4

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 4 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 claimed
EP-0026622-A2 Quinoxalinylaminophenoxyalkane carboxylic acid derivatives, their preparation, their use as herbicides and intermediates ICI AUSTRALIA LIMITED (AU) 1981-04-08 EP claimed
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