SCHEMBL7090816

SCHEMBL7090816

COc1ccc2c(c1)cc(C(=O)NC(N)=S)n2C(C=O)OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.36
POLB P06746 2/20 0.35
ATM Q13315 1/20 0.35
GAA P10253 2/20 0.34
GALR3 O60755 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
TP53 P04637 1/20 0.34
CCR2 P41597 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
MEN1 O00255 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6699798 0.75 ALDH1A1 (0.51) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL8687313 0.67 L3MBTL1 (0.65) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4543516 0.65 KDM4E (0.67) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28135680 0.64 KDM4E (0.60) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12858639 0.63 CRHBP (0.66) ALDH1A1HPGDSMN1; SMN2MAPTPOLB
SCHEMBL5426590 0.63 L3MBTL1 (1.00) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9514737 0.62 L3MBTL1 (0.76) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6704936 0.62 MAPT (0.44) L3MBTL1KDM4EALDH1A1HSD17B10MAPT
SCHEMBL19676481 0.62 KDM4E (0.54) L3MBTL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10085396 0.60 KDM4E (0.77) L3MBTL1KDM4EALDH1A1HPGDHSD17B10

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
EP-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed