SCHEMBL8709453

SCHEMBL8709453

CCOC(=O)NNC(c1ccc(Cl)cc1)c1ccc(CSCC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
PPARA Q07869 3/20 0.40
LMNA P02545 3/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
PPARG P37231 1/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
STAT3 P40763 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL8004336 0.74 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL10062558 0.71 CYP1A2 (0.50) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL17785189 0.70 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL8497128 0.70 MAPT (0.46) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL11690276 0.69 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL7995766 0.69 PPARG (0.51) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL29883965 0.67 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL11688031 0.67 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL6333483 0.66 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL11269147 0.66 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10059925-A None JP disclosed
JP-H1059925-A HYDRAZINE, ITS PRODUCTION AND INSECTICIDE FOR AGRICULTURAL AND HORTICULTURAL PURPOSE UBE IND LTD 1998-03-03 JP disclosed