SCHEMBL8551449

SCHEMBL8551449

N#Cc1sc(NC(=O)c2ccccn2)nc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 10/20 0.55
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 3/20 0.49
OPRK1 P41145 3/20 0.49
HTT P42858 3/20 0.49
AGTR1 P30556 2/20 0.49
PKM P14618 2/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.47
METAP2 P50579 1/20 0.47
METAP1 P53582 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
P2RY1 P47900 1/20 0.47

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
SCHEMBL8556231 0.85 RAB9A (0.51) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL2593847 0.81 GRM4 (0.58) GRM4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8553290 0.81 LRRK2 (0.49) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL8553286 0.79 CNR1 (0.54) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL8551758 0.79 CASP3 (0.51) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL8553674 0.75 P2RY1 (0.37) SMN1; SMN2MAPTHTTALDH1A1LMNA
SCHEMBL8554523 0.74 GLA (0.42) RAB9ASMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL18230296 0.73 TRPV1 (0.54) SMN1; SMN2MAPTHTTALDH1A1LMNA
SCHEMBL23911661 0.73 ADORA2A (0.42) GRM4ALDH1A1P2RY1
SCHEMBL18230342 0.73 ADORA2A (0.44) GRM4SMN1; SMN2MAPTHTTTDP1

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