SCHEMBL11505896

SCHEMBL11505896

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
GAA P10253 3/20 0.42
ALDH1A1 P00352 10/20 0.41
LMNA P02545 7/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 2/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ABHD16A O95870 1/20 0.39

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
SCHEMBL11271038 0.82 MAPT (0.40) MAPTGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL7046263 0.79 ABHD16A (0.63) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL11266241 0.79 MEN1 (0.55) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL11869836 0.74 MAPT (0.39) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL20278368 0.70 HSD17B10 (0.47) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL9382271 0.69 PPOX (0.52) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL30930904 0.69 LMNA (0.47) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL854061 0.68 ALDH1A1 (0.55) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL20265527 0.66 HSD17B10 (0.46) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL12543540 0.66 ALDH1A1 (0.49) MAPTGAAALDH1A1LMNASMN1; SMN2

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-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