SCHEMBL10434834

SCHEMBL10434834

COc1cc(OC)nc(N(S)S)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
PDE2A O00408 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
RECQL P46063 2/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL12888669 0.78 L3MBTL1 (0.48) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1
SCHEMBL10434832 0.76 LMNA (0.43) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1
SCHEMBL9763408 0.74 CYP1A2 (0.43) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1
SCHEMBL1067804 0.72 LMNA (0.48) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1
SCHEMBL12873600 0.71 SMN1; SMN2 (0.44) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1
SCHEMBL14782540 0.71 LMNA (0.52) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1
SCHEMBL439716 0.69 LMNA (0.59) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1
SCHEMBL423183 0.69 PDE2A (0.61) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1
SCHEMBL10827038 0.69 KDM4E (0.48) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1
SCHEMBL8656719 0.67 LMNA (0.48) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0356828-A2 Process for the preparation of sulfonyl isothiourea BAYER AG (DE) 1990-03-07 EP disclosed