SCHEMBL8952116

SCHEMBL8952116

O=C(Cl)COc1c(Cl)c(C(F)(F)F)nn1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.45
CCR1 P32246 1/20 0.41
DGAT1 O75907 2/20 0.39
HTT P42858 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.38
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 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
SCHEMBL8952084 0.92 HTT (0.46) NR3C1CCR1DGAT1HTTADAMTS5
SCHEMBL8952208 0.85 HPGD (0.47) NR3C1CCR1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8952130 0.81 ALDH1A1 (0.39) NR3C1CCR1DGAT1HTTADAMTS5
SCHEMBL9283281 0.78 HTT (0.47) NR3C1HTTADAMTS5MAPTSMN1; SMN2
SCHEMBL8952086 0.72 NR3C1 (0.43) NR3C1CCR1MAPTSMN1; SMN2POLB
SCHEMBL1765721 0.70 PDE4D (0.42) DGAT1HTTALDH1A1NPSR1LMNA
SCHEMBL17963166 0.69 NR3C1 (0.72) NR3C1MAPTSMN1; SMN2POLB
SCHEMBL20418812 0.68 NR3C1 (0.62) NR3C1KMT2A
SCHEMBL7506515 0.68 PTGS2 (0.50) NR3C1MAPTSMN1; SMN2POLBALDH1A1
SCHEMBL21935044 0.67 PTGER1 (0.41)

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-5545608-A EFFECTIVE AGAINST PADDY WEEDS WHILE SAFE FOR RICE PLANTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-13 US disclosed
EP-0638555-A1 PYRAZOLEGLYCOLAMIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1995-02-15 EP disclosed