SCHEMBL8553674

SCHEMBL8553674

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 1/20 0.37
ADORA2A P29274 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
PI4KB Q9UBF8 3/20 0.31
BACE1 P56817 1/20 0.31
RIPK1 Q13546 1/20 0.31
CA2 P00918 1/20 0.31
DYRK1A Q13627 3/20 0.30

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
SCHEMBL8551683 0.81 SMN1; SMN2 (0.41) P2RY1ALDH1A1MEN1HPGDKMT2A
SCHEMBL8552542 0.79 RAB9A (0.47) ADORA2AALDH1A1MEN1HPGDKMT2A
SCHEMBL8553290 0.77 LRRK2 (0.49) ADORA2AALDH1A1MEN1HPGDKMT2A
SCHEMBL9892348 0.76 ALDH1A1 (0.43) ALDH1A1MEN1HPGDKMT2ASMN1; SMN2
SCHEMBL8555203 0.76 P2RY1 (0.43) P2RY1ALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL9224524 0.76 P2RY1 (0.43) P2RY1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8551758 0.75 CASP3 (0.51) P2RY1ALDH1A1MEN1HPGDKMT2A
SCHEMBL8551449 0.75 GRM4 (0.55) P2RY1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL12195699 0.74 RIPK1 (0.36) P2RY1ADORA2AALDH1A1MEN1KMT2A
SCHEMBL8556231 0.74 RAB9A (0.51) ALDH1A1MEN1HPGDKMT2ASMN1; SMN2

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