SCHEMBL4259396

SCHEMBL4259396

COC(=O)c1ccc(NC(=O)CS)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 2/20 0.55
HPGD P15428 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL6999185 0.88 L3MBTL1 (0.55) SMN1; SMN2L3MBTL1KDM4EALDH1A1LMNA
SCHEMBL8900742 0.87 TDP1 (0.59) SMN1; SMN2L3MBTL1KDM4EALDH1A1LMNA
SCHEMBL4259390 0.87 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1KDM4EALDH1A1LMNA
SCHEMBL7930456 0.84 SMN1; SMN2 (0.66) SMN1; SMN2L3MBTL1KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL658745 0.84 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1KDM4EALDH1A1LMNA
SCHEMBL4239469 0.84 TDP1 (0.57) SMN1; SMN2L3MBTL1KDM4EALDH1A1LMNA
SCHEMBL8260310 0.83 ALDH1A1 (0.53) SMN1; SMN2L3MBTL1KDM4EALDH1A1LMNA
SCHEMBL2555975 0.81 TDP1 (0.73) SMN1; SMN2L3MBTL1KDM4EALDH1A1LMNA
SCHEMBL20328289 0.80 CNR1 (0.57) SMN1; SMN2L3MBTL1KDM4EALDH1A1LMNA
SCHEMBL10886971 0.79 POLB (0.51) SMN1; SMN2L3MBTL1ALDH1A1CYP1A2CYP2C19

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-1846430-B1 NEW MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-04-01 EP disclosed