SCHEMBL11271038

SCHEMBL11271038

CC1(c2nn(-c3ccc(N)cc3Cl)c(=O)o2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.39
RAD52 P43351 1/20 0.39
ALDH1A1 P00352 4/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 3/20 0.38
HTT P42858 1/20 0.38
NFKB1 P19838 1/20 0.38
PMP22 Q01453 1/20 0.38
OPRM1 P35372 5/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CNR2 P34972 2/20 0.34
NR1I2 O75469 1/20 0.33
PPOX P50336 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
SCHEMBL7044246 0.75 ABHD16A (0.48) MAPTSMN1; SMN2GAAKDM4ERAD52
SCHEMBL11272220 0.75 MEN1 (0.60) MAPTSMN1; SMN2GAAKDM4ERAD52
SCHEMBL9378668 0.65 PPOX (0.56) TDP1MEN1KMT2ANR1I2PPOX
SCHEMBL30930979 0.64 MAPT (0.46) MAPTSMN1; SMN2GAAKDM4ERAD52
SCHEMBL17292935 0.64 MAPT (0.44) MAPTSMN1; SMN2GAAKDM4ERAD52
SCHEMBL20278384 0.64 MAPT (0.46) MAPTSMN1; SMN2GAAKDM4ERAD52
SCHEMBL11728537 0.62 MAPT (0.44) MAPTSMN1; SMN2GAAKDM4ERAD52
SCHEMBL19814419 0.62 MAPT (0.39) MAPTSMN1; SMN2GAAKDM4ERAD52
SCHEMBL31312874 0.61 MAPT (0.64) MAPTSMN1; SMN2GAAKDM4ERAD52
SCHEMBL854657 0.61 MAPT (0.64) MAPTSMN1; SMN2GAAKDM4ERAD52

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-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
US-4174958-A Anilide derivative herbicides SHELL OIL COMPANY (US) 1979-11-20 US 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