SCHEMBL9836320

SCHEMBL9836320

CC(=O)OCCC(=O)Nc1nc(CCl)cs1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.63
KMT2A Q03164 2/20 0.63
GAA P10253 3/20 0.52
POLB P06746 3/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 3/20 0.46
PDE5A O76074 2/20 0.45
LMNA P02545 3/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
ESR2 Q92731 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41

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
SCHEMBL8478547 0.86 SMN1; SMN2 (0.62) SMN1; SMN2KMT2AGAAPOLBCYP1A2
SCHEMBL9835391 0.82 SMN1; SMN2 (0.68) SMN1; SMN2KMT2AGAAPOLBCYP1A2
SCHEMBL9835472 0.81 KMT2A (0.62) SMN1; SMN2KMT2AGAAPOLBCYP1A2
SCHEMBL9836846 0.80 PDE5A (0.64) SMN1; SMN2KMT2AGAAPOLBCYP1A2
SCHEMBL9677782 0.79 SMN1; SMN2 (0.71) SMN1; SMN2KMT2AGAAPOLBCYP1A2
SCHEMBL4685246 0.78 PDE5A (0.70) SMN1; SMN2KMT2AGAAPOLBCYP1A2
SCHEMBL307301 0.78 SMN1; SMN2 (1.00) SMN1; SMN2KMT2AALDH1A1LMNANPC1
SCHEMBL9836233 0.75 SMN1; SMN2 (0.66) SMN1; SMN2KMT2AGAAALDH1A1PDE5A
SCHEMBL4874907 0.75 KMT2A (0.66) SMN1; SMN2KMT2AGAAPOLBCYP1A2
SCHEMBL4295973 0.75 SMN1; SMN2 (0.61) SMN1; SMN2KMT2AALDH1A1LMNANPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0224919-B1 NEW THIAZOLE COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-08-14 EP disclosed
US-4742057-A Antiallergic thiazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-05-03 US disclosed
EP-0224919-A2 New thiazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-06-10 EP disclosed