SCHEMBL6612249

SCHEMBL6612249

CCCCOB(O)c1ccsc1C(=O)NC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
GAA P10253 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
GLA P06280 1/20 0.46
MAPK1 P28482 1/20 0.46
CNR2 P34972 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 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
SCHEMBL6611523 0.75 PKM (0.33) L3MBTL1SMN1; SMN2LMNAHTTTSHR
SCHEMBL9320429 0.70 ALDH1A1 (0.51) ALDH1A1GAAKDM4EHPGDGLA
SCHEMBL8750311 0.70 MEN1 (0.35) GAAL3MBTL1TDP1KMT2ALMNA
SCHEMBL13883863 0.66 HPGD (0.65) ALDH1A1GAAKDM4EHPGDGLA
SCHEMBL2187456 0.66 ALDH1A1 (0.59) ALDH1A1GAAKDM4EHPGDGLA
SCHEMBL2185746 0.64 KDM4E (1.00) ALDH1A1GAAKDM4EHPGDGLA
SCHEMBL2185749 0.64 ALDH1A1 (0.60) ALDH1A1GAAKDM4EHPGDGLA
SCHEMBL7827343 0.63 ALDH1A1 (0.59) ALDH1A1GAAKDM4EHPGDGLA
SCHEMBL7827972 0.62 ALDH1A1 (0.55) ALDH1A1GAAKDM4EHPGDGLA
SCHEMBL2186719 0.61 KDM4E (0.76) ALDH1A1GAAKDM4EHPGDGLA

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-1395566-A1 TRICYCLIC COMPOUNDS USEFUL AS ANGIOTENSIN II AGONISTS Vicore Pharma AB (SE) 2004-03-10 EP disclosed
WO-2002096883-A1 TRICYCLIC COMPOUNDS USEFUL AS ANGIOTENSIN II AGONISTS VICORE PHARMA AB (SE) 2002-12-05 WO disclosed