SCHEMBL8069090

SCHEMBL8069090

COc1c(C)cnc(C[S+]([O-])c2nc3cc(N4CCN(C)CC4)c(F)cc3[nH]2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.42
FGFR2 P21802 2/20 0.42
FGFR3 P22607 2/20 0.42
KDR P35968 2/20 0.42
OPRL1 P41146 6/20 0.41
BRS3 P32247 2/20 0.36
KMT2A Q03164 4/20 0.35
WDR5 P61964 3/20 0.35
CYP2C9 P11712 2/20 0.35
ATP1A1 P05023 2/20 0.35
ATP1B1 P05026 2/20 0.35
ATP1A3 P13637 2/20 0.35
ATP1B2 P14415 2/20 0.35
ATP4A P20648 2/20 0.35
ATP1A2 P50993 2/20 0.35
ATP4B P51164 2/20 0.35
ATP1B3 P54709 2/20 0.35
FXYD2 P54710 2/20 0.35
ATP1A4 Q13733 2/20 0.35
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL8060015 0.92 PDE10A (0.40) FGFR1FGFR2FGFR3KDROPRL1
SCHEMBL8075658 0.87 HTT (0.39) BRS3KMT2AWDR5CYP2C9ATP1A1
SCHEMBL8070889 0.84 KMT2A (0.42) BRS3KMT2AWDR5CYP2C9ATP1A1
SCHEMBL8059870 0.82 BRS3 (0.36) BRS3KMT2AWDR5CYP2C9ATP1A1
SCHEMBL8061857 0.81 OPRL1 (0.60) FGFR1FGFR2FGFR3KDROPRL1
SCHEMBL12439146 0.79 BRS3 (0.41) BRS3KMT2AWDR5CYP2C9ATP1A1
SCHEMBL8059765 0.79 OPRL1 (0.41) FGFR1FGFR2FGFR3KDROPRL1
SCHEMBL13285214 0.78 KMT2A (0.42) BRS3KMT2AWDR5CYP2C9ATP1A1
SCHEMBL2631548 0.78 KMT2A (0.42) BRS3KMT2AWDR5CYP2C9ATP1A1
SCHEMBL8073957 0.78 ATP4A (0.42) FGFR1FGFR2FGFR3KDROPRL1

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