SCHEMBL8552542

SCHEMBL8552542

N#Cc1sc(NC(=O)C2CCCC2)nc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 4/20 0.47
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL8553674 0.79 P2RY1 (0.37) SMN1; SMN2ALDH1A1MAPTHPGDMEN1
SCHEMBL8551683 0.76 SMN1; SMN2 (0.41) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL1848089 0.75 JAK2 (0.48) ALDH1A1MAPTHPGDADORA2AADORA1
SCHEMBL1849827 0.74 ADORA2A (0.49) ALDH1A1MAPTHPGDADORA2AADORA1
SCHEMBL1848064 0.73 ADORA2A (0.63) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL1846481 0.73 ADORA2A (0.48) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL1850792 0.73 RAB9A (0.48) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL1847935 0.73 ADORA2A (0.62) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL1849337 0.72 ADORA3 (0.57) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL8553290 0.72 LRRK2 (0.49) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT

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