SCHEMBL9146147

SCHEMBL9146147

CCOC(=O)c1c(SC(C)C)c2cc(OC(C)=O)ccc2n1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 3/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 2/20 0.46
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NMT1 P30419 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
SCHEMBL9146495 0.83 NMT1 (0.62) LMNAPOLBSMN1; SMN2CYP1A2CYP3A4
SCHEMBL9144209 0.80 KDM4E (0.53) KDM4ELMNAPOLBHTTSMN1; SMN2
SCHEMBL9144138 0.80 NMT1 (0.54) KDM4ELMNAPOLBHTTSMN1; SMN2
SCHEMBL9142199 0.77 L3MBTL1 (0.48) KDM4EPOLBHTTSMN1; SMN2GAA
SCHEMBL9587727 0.76 POLB (0.74) KDM4ELMNAPOLBHTTSMN1; SMN2
SCHEMBL29429164 0.76 POLB (0.74) KDM4ELMNAPOLBHTTSMN1; SMN2
SCHEMBL9144157 0.71 NMT1 (0.60) LMNAMEN1KMT2ANMT1
SCHEMBL3011861 0.69 MEN1 (0.51) KDM4ELMNAPOLBHTTSMN1; SMN2
SCHEMBL9148528 0.69 L3MBTL1 (0.57) KDM4ELMNAPOLBHTTSMN1; SMN2
SCHEMBL26688411 0.69 KDM4E (0.55) KDM4ELMNAPOLBSMN1; SMN2GAA

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
US-5424329-A Administering an antiinflammatory agent to prevent leukocytes bonding to vascular endothelium, treating rheumatoid arthritis , asthma, psoriasis and AIDS WARNER-LAMBERT COMPANY (US) 1995-06-13 US disclosed