SCHEMBL8553127

SCHEMBL8553127

Cn1nc(C(F)(F)F)c(Cl)c1C(=O)Nc1nc(C(F)(F)F)c(C#N)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.34
STIM1 Q13586 1/20 0.34
ORAI1 Q96D31 1/20 0.34
LMNA P02545 3/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
HPGD P15428 1/20 0.33
RIPK1 Q13546 1/20 0.33
P2RY1 P47900 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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 0.75 LRRK2 (0.49) MEN1KMT2AMAPTSMN1; SMN2STIM1
SCHEMBL8553674 0.73 P2RY1 (0.37) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL8551683 0.72 SMN1; SMN2 (0.41) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL8551449 0.71 GRM4 (0.55) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL12195699 0.70 RIPK1 (0.36) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL8556231 0.70 RAB9A (0.51) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL8050840 0.70 NPC1 (0.46) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL8554523 0.70 GLA (0.42) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL8551758 0.69 CASP3 (0.51) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL8551900 0.69 KDM4E (0.44) MEN1KMT2AMAPTSMN1; SMN2LMNA

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