SCHEMBL11264161

SCHEMBL11264161

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.41
MAP4K4 O95819 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
CYP1A2 P05177 2/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
HIF1A Q16665 1/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 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
SCHEMBL11264919 0.87 CYP1A2 (0.51) MAP4K4TDP1RXRACYP1A2GAA
SCHEMBL11260337 0.87 CYP1A2 (0.38) MAP4K4TDP1CYP1A2GAACYP2C9
SCHEMBL11264953 0.85 CYP1A2 (0.43) MAP4K4TDP1RXRARXRBCYP1A2
SCHEMBL9420221 0.82 ALDH1A1 (0.54) SCN9AMAP4K4TDP1CYP1A2GAA
Hydrochloric Acid SCHEMBL10947367 0.81 ALDH1A1 (0.53) SCN9AMAP4K4TDP1CYP1A2GAA
SCHEMBL10806262 0.79 SCN9A (0.43) SCN9AMAP4K4TDP1CYP1A2GAA
SCHEMBL11267584 0.79 CYP1A2 (0.51) MAP4K4RXRACYP1A2CYP2C9CYP2C19
SCHEMBL29413788 0.78 ALDH1A1 (0.60) SCN9AMAP4K4TDP1CYP1A2GAA
SCHEMBL11273121 0.77 CYP1A2 (0.65) MAP4K4RXRACYP1A2CYP2C9CYP2C19
SCHEMBL11270736 0.77 MAPT (0.49) MAP4K4TDP1RXRACYP1A2GAA

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 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