SCHEMBL11270534

SCHEMBL11270534

Cn1ccn(-c2ccc(N)cc2C(F)(F)F)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
NR1H2 P55055 2/20 0.39
AR P10275 3/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
SRC P12931 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL12019676 0.78 POLB (0.46) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL11266362 0.78 CASP1 (0.42) POLBNR1H2ALDH1A1MEN1CASP1
SCHEMBL1926995 0.71 ALDH1A1 (0.49) GAAGLAPOLBTSHRNR1H2
SCHEMBL11263789 0.71 NR1H2 (0.45) GAAGLAPOLBTSHRNR1H2
SCHEMBL10915573 0.69 ALDH1A1 (0.56) GAAGLAPOLBTSHRNR1H2
SCHEMBL6140218 0.69 GAA (0.47) GAAGLAPOLBTSHRNR1H2
SCHEMBL4540644 0.69 POLB (0.47) GAAGLAPOLBTSHRNR1H2
SCHEMBL4544013 0.68 LDHA (0.40) GAAGLAPOLBTSHRALDH1A1
SCHEMBL29959068 0.68 MAPT (0.59) GAAGLAPOLBTSHRNR1H2
SCHEMBL880662 0.68 MAPT (0.59) GAAGLAPOLBTSHRNR1H2

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
EP-0003619-B1 HETEROCYCLIC-SUBSTITUTED ANILIDE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, HERBICIDAL COMPOSITIONS CONTAINING THEM AND A METHOD OF CONTROLLING UNDESIRED PLANT GROWTH USING THEM SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1982-05-05 EP disclosed
EP-0003619-A2 Heterocyclic-substituted anilide derivatives, a process for their preparation, herbicidal compositions containing them and a method of controlling undesired plant growth using them SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1979-08-22 EP disclosed