SCHEMBL6187789

SCHEMBL6187789

CC(C(=O)O)C(=O)c1cnccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
NAPRT Q6XQN6 1/20 0.57
HCAR2 Q8TDS4 1/20 0.57
ADORA3 P0DMS8 1/20 0.50
TSHR P16473 1/20 0.50
MC4R P32245 1/20 0.50
ADRA1A P35348 1/20 0.50
MC3R P41968 1/20 0.50
LMNA P02545 3/20 0.49
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP2D6 P10635 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL27668658 0.86 KDM4E (0.53) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL1911567 0.82 KDM4E (0.57) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL5578127 0.81 KDM4E (0.47) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL20705826 0.79 KDM4E (0.53) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL11529414 0.78 SMN1; SMN2 (0.48) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL11868873 0.78 MAPT (0.47) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL8225877 0.76 KDM4E (0.50) KDM4ENAPRTHCAR2ADORA3TSHR
Pyrazinoic Acid SCHEMBL8335237 0.76 KDM4E (0.95) KDM4ENAPRTHCAR2ADORA3TSHR
Pyrazinoic Acid SCHEMBL8341710 0.76 KDM4E (0.95) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL5160643 0.74 GSK3B (0.59) KDM4ENAPRTLMNAHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565460-A1 METHOD FOR PREPARING OLTIPRAZ CJ Corporation (KR) 2005-08-24 EP claimed
WO-2004048369-A1 METHOD FOR PREPARING OLTIPRAZ CJ CORPORATION (KR) 2004-06-10 WO claimed
WO-2023106973-A1 NOVEL HEPATOPROTECTIVE AGENTS ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "ВАЛЕНТА-ИНТЕЛЛЕКТ" 2023-06-15 WO disclosed
EP-1565460-A1 METHOD FOR PREPARING OLTIPRAZ CJ Corporation (KR) 2005-08-24 EP disclosed
EP-1565460-A1 METHOD FOR PREPARING OLTIPRAZ CJ Corporation (KR) 2005-08-24 EP disclosed
WO-2004048369-A1 METHOD FOR PREPARING OLTIPRAZ CJ CORPORATION (KR) 2004-06-10 WO disclosed
WO-2004048369-A1 METHOD FOR PREPARING OLTIPRAZ CJ CORPORATION (KR) 2004-06-10 WO disclosed