SCHEMBL8553286

SCHEMBL8553286

N#Cc1sc(NC(=O)c2cccc3ccccc23)nc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPK9 P45984 2/20 0.48
MAPK10 P53779 2/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
RXFP1 Q9HBX9 1/20 0.44
PDE5A O76074 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
DEGS1 O15121 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
MMP3 P08254 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
MAPT P10636 2/20 0.41

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
SCHEMBL8551449 0.79 GRM4 (0.55) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL8551758 0.77 CASP3 (0.51) SMN1; SMN2NPSR1ALDH1A1KDM4ERXFP1
SCHEMBL8553674 0.73 P2RY1 (0.37) SMN1; SMN2ALDH1A1KMT2AMAPTADORA2A
SCHEMBL8556231 0.71 RAB9A (0.51) SMN1; SMN2NPSR1ALDH1A1KDM4ENPC1
SCHEMBL23911661 0.71 ADORA2A (0.42) ALDH1A1ADORA2A
SCHEMBL14808194 0.70 CNR1 (1.00) CNR1SMN1; SMN2NPSR1ALDH1A1KDM4E
SCHEMBL8551683 0.70 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL20481554 0.68 P2RY1 (0.39) SMN1; SMN2NPSR1MAPK9MAPK10ALDH1A1
SCHEMBL8554523 0.68 GLA (0.42) SMN1; SMN2NPSR1ALDH1A1KDM4ERAB9A
SCHEMBL8551763 0.68 P2RY1 (0.34) ALDH1A1KMT2AADORA2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0566138-B1 Amino thiazole derivatives and their use as fungicides HODOGAYA CHEMICAL CO LTD (JP) 1998-11-18 EP claimed
EP-0566138-A1 Amino thiazole derivatives and their use as fungicides HODOGAYA CHEMICAL CO., LTD. (JP) 1993-10-20 EP claimed
EP-0566138-B1 Amino thiazole derivatives and their use as fungicides HODOGAYA CHEMICAL CO LTD (JP) 1998-11-18 EP disclosed
EP-0566138-A1 Amino thiazole derivatives and their use as fungicides HODOGAYA CHEMICAL CO., LTD. (JP) 1993-10-20 EP disclosed