SCHEMBL9835472

SCHEMBL9835472

COC(=O)CCC(=O)Nc1nc(CCl)cs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
GAA P10253 1/20 0.54
POLB P06746 2/20 0.50
PARP1 P09874 1/20 0.47
PDE5A O76074 2/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.46
ESR2 Q92731 1/20 0.46
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44

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) KMT2ASMN1; SMN2GAAPOLBPDE5A
SCHEMBL9835391 0.84 SMN1; SMN2 (0.68) KMT2ASMN1; SMN2GAAPOLBPDE5A
SCHEMBL9836846 0.82 PDE5A (0.64) KMT2ASMN1; SMN2GAAPOLBPDE5A
SCHEMBL9836320 0.81 SMN1; SMN2 (0.63) KMT2ASMN1; SMN2GAAPOLBPDE5A
SCHEMBL9677782 0.81 SMN1; SMN2 (0.71) KMT2ASMN1; SMN2GAAPOLBPDE5A
SCHEMBL4685246 0.81 PDE5A (0.70) KMT2ASMN1; SMN2GAAPOLBPDE5A
SCHEMBL307301 0.77 SMN1; SMN2 (1.00) KMT2ASMN1; SMN2ALDH1A1L3MBTL1CDK5
SCHEMBL9836233 0.77 SMN1; SMN2 (0.66) KMT2ASMN1; SMN2GAAPDE5AALDH1A1
SCHEMBL353851 0.76 SMN1; SMN2 (0.73) KMT2ASMN1; SMN2GAAPOLBPDE5A
SCHEMBL9835719 0.75 SMN1; SMN2 (0.71) KMT2ASMN1; SMN2GAAPOLBALDH1A1

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