SCHEMBL18154972

SCHEMBL18154972

N=[C]Nc1cccc(OC(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.48
GRM4 Q14833 3/20 0.47
KCNJ5 P48544 1/20 0.44
KCNJ3 P48549 1/20 0.44
EPHX2 P34913 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
GALR2 O43603 1/20 0.40
GALR1 P47211 1/20 0.40
DRD1 P21728 1/20 0.40
TOP2A P11388 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
SCHEMBL15755676 0.83 GRM4 (0.49) TAS2R14GRM4KCNJ5KCNJ3EPHX2
SCHEMBL4106286 0.77 MAPT (0.65) TAS2R14GRM4KCNJ5KCNJ3EPHX2
SCHEMBL22838167 0.77 TAS2R14 (0.51) TAS2R14GRM4KCNJ5KCNJ3EPHX2
SCHEMBL18884385 0.77 TAS2R14 (0.51) TAS2R14GRM4KCNJ5KCNJ3EPHX2
SCHEMBL14233363 0.77 TAS2R14 (0.51) TAS2R14GRM4KCNJ5KCNJ3EPHX2
SCHEMBL21258954 0.75 TAS2R14 (0.66) TAS2R14GRM4KCNJ5KCNJ3EPHX2
Hydrochloric Acid SCHEMBL14150624 0.75 TAS2R14 (0.50) TAS2R14GRM4KCNJ5KCNJ3EPHX2
SCHEMBL10652484 0.73 GRM4 (0.55) TAS2R14GRM4KCNJ5KCNJ3EPHX2
SCHEMBL4118632 0.73 MAPT (0.64) TAS2R14GRM4KCNJ5KCNJ3EPHX2
SCHEMBL20686490 0.73 TAS2R14 (0.49) TAS2R14GRM4KCNJ5KCNJ3EPHX2

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-3283480-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS Bayer Pharma Aktiengesellschaft (DE) 2018-02-21 EP disclosed
WO-2016166186-A1 NOVEL ARYL-CYANOGUANIDINE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-20 WO disclosed