SCHEMBL8551763

SCHEMBL8551763

N#Cc1sc(NC(=O)C2=CC=CCC2=S)nc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 1/20 0.34
ADORA2A P29274 1/20 0.32
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
RIPK1 Q13546 1/20 0.30
CYP2D6 P10635 1/20 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
SCHEMBL8553290 0.71 LRRK2 (0.49) ADORA2AMEN1ALDH1A1HPGDKMT2A
SCHEMBL8553674 0.71 P2RY1 (0.37) P2RY1ADORA2AMEN1ALDH1A1HPGD
SCHEMBL8552542 0.71 RAB9A (0.47) ADORA2AMEN1ALDH1A1HPGDKMT2A
SCHEMBL8551683 0.70 SMN1; SMN2 (0.41) P2RY1MEN1ALDH1A1HPGDKMT2A
SCHEMBL20481554 0.70 P2RY1 (0.39) P2RY1ADORA2AMEN1ALDH1A1KMT2A
SCHEMBL8551758 0.70 CASP3 (0.51) P2RY1MEN1ALDH1A1HPGDKMT2A
SCHEMBL8556231 0.69 RAB9A (0.51) MEN1ALDH1A1HPGDKMT2A
SCHEMBL8553127 0.67 MEN1 (0.39) P2RY1MEN1ALDH1A1HPGDKMT2A
SCHEMBL8555203 0.66 P2RY1 (0.43) P2RY1ALDH1A1HPGDKMT2A
SCHEMBL8554523 0.66 GLA (0.42) MEN1ALDH1A1HPGDKMT2ACYP2D6

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