SCHEMBL8069159

SCHEMBL8069159

COc1c(C)cnc(CSc2nc3cc(N4CCN(C)CC4)ccc3[nH]2)c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.60
OPRL1 P41146 1/20 0.42
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
BLM P54132 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
WDR5 P61964 3/20 0.39
SHMT2 P34897 1/20 0.39
LMNA P02545 2/20 0.38
BRD4 O60885 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PDE10A Q9Y233 1/20 0.38
CYP2C9 P11712 2/20 0.37
DDAH1 O94760 2/20 0.37

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
SCHEMBL8070787 0.84 NPC1 (0.48) BRS3OPRL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8061857 0.84 OPRL1 (0.60) BRS3OPRL1KDM4EALDH1A1SMN1; SMN2
Ufiprazole SCHEMBL662986 0.81 BRS3 (0.84) BRS3KDM4EALDH1A1SMN1; SMN2KMT2A
Ufiprazole SCHEMBL29455226 0.81 BRS3 (0.84) BRS3KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL7851296 0.81 BRS3 (0.69) BRS3KDM4EALDH1A1SMN1; SMN2KMT2A
Ufiprazole SCHEMBL7950477 0.81 BRS3 (0.82) BRS3KDM4EALDH1A1SMN1; SMN2KMT2A
Ufiprazole SCHEMBL7929368 0.81 BRS3 (0.82) BRS3KDM4EALDH1A1SMN1; SMN2KMT2A
Ufiprazole SCHEMBL31529606 0.81 BRS3 (0.82) BRS3KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL8070889 0.80 KMT2A (0.42) BRS3KDM4EALDH1A1SMN1; SMN2KMT2A
Ufiprazole SCHEMBL3180530 0.79 BRS3 (0.76) BRS3KDM4EALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6051570-A ANTIULCER AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-04-18 US claimed
US-6051570-A ANTIULCER AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-04-18 US disclosed
EP-0983263-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS ANTIULCER AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-03-08 EP disclosed
WO-1998054172-A1 NOVEL BENZIMIDAZOLE DERIVATIVES AS ANTIULCER AGENTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1998-12-03 WO disclosed