SCHEMBL11097501

SCHEMBL11097501

CC(Oc1ccc(N(C)c2nnc3cc(Br)ccc3n2)cc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.37
TBXAS1 P24557 2/20 0.35
LDHA P00338 1/20 0.35
PPARA Q07869 4/20 0.35
PPARG P37231 2/20 0.35
PABPC1 P11940 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
NCEH1 Q6PIU2 1/20 0.34
HTT P42858 1/20 0.34
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAP4K4 O95819 1/20 0.33

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
SCHEMBL11097255 0.88 KMT2A (0.39) TDP1GAALMNACYSLTR2CYSLTR1
SCHEMBL11096193 0.87 CYP1A2 (0.42) TDP1CYP1A2GAACYP2C9PKM
SCHEMBL11122608 0.85 PPARA (0.46) LMNALDHAPPARAPPARGPABPC1
SCHEMBL11260337 0.82 CYP1A2 (0.38) TDP1CYP1A2GAACYP2C9PKM
SCHEMBL11280273 0.81 TDP1 (0.35) TDP1CYP1A2GAACYP2C9PKM
SCHEMBL11263130 0.80 TDP1 (0.36) TDP1CYP1A2GAACYP2C9PKM
SCHEMBL11093399 0.77 PPARG (0.42) TDP1CYP1A2GAACYP2C9PKM
SCHEMBL11122607 0.77 PPARA (0.39) LMNAPPARAPPARGPABPC1CYSLTR2
SCHEMBL11098428 0.77 MAPT (0.55) CYP1A2CYP2C9CYP2C19LMNAPPARA
SCHEMBL11097512 0.77 MAPT (0.46) CYP1A2CYP2C9CYP2C19LMNATP53

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 claimed
US-4310347-A Herbicidal 1,2,4-benzotriazines ICI AUSTRALIA LIMITED (AU) 1982-01-12 US claimed
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 claimed