SCHEMBL8070889

SCHEMBL8070889

COc1c(C)cnc(C[S+]([O-])c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
KDM4E B2RXH2 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
BLM P54132 2/20 0.42
GAA P10253 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
BRD4 O60885 1/20 0.39
WDR5 P61964 3/20 0.38
TGFBR1 P36897 1/20 0.38
ACVR1 Q04771 1/20 0.38
BRS3 P32247 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PDE10A Q9Y233 1/20 0.36
CYP2C9 P11712 2/20 0.36
DDAH1 O94760 2/20 0.36
KCNH2 Q12809 2/20 0.36

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
SCHEMBL23988288 0.85 KMT2A (0.41) KMT2AKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL23988511 0.85 KMT2A (0.41) KMT2AKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL23988289 0.85 KMT2A (0.41) KMT2AKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL8069090 0.84 FGFR1 (0.42) KMT2AKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL2615442 0.83 KMT2A (0.44) KMT2AKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL4548502 0.83 KMT2A (0.44) KMT2AKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL15032050 0.83 KMT2A (0.44) KMT2AKDM4ESMN1; SMN2ALDH1A1MAPT
Omeprazole SCHEMBL82985 0.82 BRS3 (0.52) KMT2AKDM4ESMN1; SMN2ALDH1A1MAPT
Omeprazole SCHEMBL1560726 0.82 BRS3 (0.52) KMT2AKDM4ESMN1; SMN2ALDH1A1MAPT
Omeprazole SCHEMBL1191 0.82 BRS3 (0.52) KMT2AKDM4ESMN1; SMN2ALDH1A1MAPT

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