SCHEMBL5685705

SCHEMBL5685705

CCCCS(=O)(=O)NCn1nnc2c(C)cccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.43
TLR8 Q9NR97 1/20 0.36
SLC9A1 P19634 4/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GPR139 Q6DWJ6 2/20 0.34
HTR6 P50406 1/20 0.32
CREBBP Q92793 1/20 0.32
PARP14 Q460N5 1/20 0.32
ELANE P08246 1/20 0.32
LMNA P02545 1/20 0.32
TOP2A P11388 1/20 0.32

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
SCHEMBL5686023 0.78 GRM2 (0.43) GRM2TLR8SLC9A1ALDH1A1GPR139
SCHEMBL19911456 0.76 GRM2 (0.70) GRM2TLR8SLC9A1ALDH1A1LMNA
SCHEMBL30643299 0.73 GRM2 (0.48) GRM2TLR8SLC9A1
SCHEMBL19911457 0.72 GRM2 (0.69) GRM2TLR8SLC9A1ALDH1A1
SCHEMBL17828279 0.72 GRM2 (0.67) GRM2TLR8SLC9A1
SCHEMBL5162824 0.71 GRM2 (0.41) GRM2TLR8SLC9A1KDM4EHPGD
SCHEMBL12971549 0.70 RPS6KA3 (0.50) GRM2SLC9A1KDM4EALDH1A1
SCHEMBL4233106 0.69 GRM2 (0.49) GRM2SLC9A1
SCHEMBL17728249 0.68 GRM2 (0.46) GRM2TLR8SLC9A1
SCHEMBL6241554 0.68 GRM2 (0.46) GRM2TLR8SLC9A1

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
EP-1625240-A1 QUENCHING FLUID COMPOSITION A. & A. FRATELLI PARODI S.R.L. (IT) 2006-02-15 EP disclosed
WO-2004099450-A1 QUENCHING FLUID COMPOSITION A. & A. FRATELLI PARODI S.R.L. (IT) 2004-11-18 WO disclosed