SCHEMBL8545947

SCHEMBL8545947

OC(c1cnccc1Cl)c1c(Cl)cccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KCNA5 P22460 2/20 0.35
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 3/20 0.33
TYK2 P29597 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2D6 P10635 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KCNH2 Q12809 2/20 0.33
F2RL1 P55085 1/20 0.33
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 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
SCHEMBL8017634 0.79 SMN1; SMN2 (0.55) HPGDHSD17B10KCNA5GAASMN1; SMN2
SCHEMBL7089958 0.77 KCNA5 (0.46) KCNA5GAASMN1; SMN2CYP19A1ROCK2
SCHEMBL8327525 0.75 GAA (0.34) HPGDHSD17B10GAASMN1; SMN2CYP3A4
SCHEMBL1921464 0.75 CYP19A1 (0.46) HPGDGAASMN1; SMN2LMNAL3MBTL1
SCHEMBL8324021 0.73 TSHR (0.56) HPGDHSD17B10L3MBTL1CYP3A4ALDH1A1
SCHEMBL7666179 0.73 CYP1A2 (0.43) SMN1; SMN2LMNACYP3A4CYP2D6SLC6A2
SCHEMBL23489766 0.73 GAA (0.39) HPGDHSD17B10GAASMN1; SMN2CYP3A4
SCHEMBL31473883 0.73 GAA (0.39) HPGDHSD17B10GAASMN1; SMN2CYP3A4
SCHEMBL17318479 0.73 GAA (0.39) HPGDHSD17B10GAASMN1; SMN2CYP3A4
SCHEMBL8546018 0.71 TNF (0.38) HPGDHSD17B10KCNA5GAASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0695292-B1 HERBICIDAL (4-SUBSTITUTED PYRIDYL)-3-CARBINOLS ZENECA LTD (GB) 1998-02-25 EP disclosed
US-5585327-A PRE- AND POST-EMERGENCE HERBICIDES ZENECA LIMITED (GB) 1996-12-17 US disclosed
EP-0695292-A1 HERBICIDAL (4-SUBSTITUTED PYRIDYL)-3-CARBINOLS ZENECA LIMITED (GB) 1996-02-07 EP disclosed
WO-1994024106-A1 HERBICIDAL (4-SUBSTITUTED PYRIDYL)-3-CARBINOLS ZENECA LIMITED (GB) 1994-10-27 WO disclosed
US-5308826-A Pre- and postemergence herbicides; controlling weeds, particularly broad leaf plants and grasses ZENECA LIMITED (GB) 1994-05-03 US disclosed