SCHEMBL11196331

SCHEMBL11196331

[O]c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.67
LMNA P02545 7/20 0.62
RAB9A P51151 1/20 0.61
ALDH1A1 P00352 3/20 0.61
HTT P42858 3/20 0.60
HPGD P15428 2/20 0.60
MAPT P10636 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
XBP1 P17861 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
LIPE Q05469 1/20 0.58
POLB P06746 1/20 0.58
FFAR1 O14842 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
PTGES2 Q9H7Z7 1/20 0.54

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
SCHEMBL11360493 0.92 SMN1; SMN2 (0.71) SMN1; SMN2LMNARAB9AALDH1A1HTT
SCHEMBL11459158 0.88 SMN1; SMN2 (0.66) SMN1; SMN2LMNARAB9AALDH1A1HTT
SCHEMBL9790809 0.87 LMNA (0.67) SMN1; SMN2LMNARAB9AALDH1A1HTT
SCHEMBL5687596 0.85 RAB9A (0.73) SMN1; SMN2LMNARAB9AALDH1A1HTT
SCHEMBL2711491 0.85 SMN1; SMN2 (0.65) SMN1; SMN2LMNARAB9AALDH1A1HTT
SCHEMBL12585076 0.85 LMNA (0.64) SMN1; SMN2LMNARAB9AALDH1A1HTT
SCHEMBL31251923 0.85 RAB9A (0.73) SMN1; SMN2LMNARAB9AALDH1A1HTT
SCHEMBL10440879 0.85 RAB9A (0.72) SMN1; SMN2LMNARAB9AALDH1A1HTT
SCHEMBL7945622 0.85 SMN1; SMN2 (0.62) SMN1; SMN2LMNARAB9AALDH1A1HTT
SCHEMBL1036235 0.85 LMNA (0.72) SMN1; SMN2LMNARAB9AALDH1A1HTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0084819-A2 Herbicidal agents containing methabenzthiazuron in combination with certain phenoxypropionic acid esters BAYER AG (DE) 1983-08-03 EP disclosed