SCHEMBL8075658

SCHEMBL8075658

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.39
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 2/20 0.37
GPR119 Q8TDV5 3/20 0.36
TBK1 Q9UHD2 3/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
ALK Q9UM73 1/20 0.34

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
SCHEMBL8069090 0.87 FGFR1 (0.42) HTTMAPTALDH1A1KDM4EHPGD
SCHEMBL8075391 0.87 CCNT1 (0.42) HTTMAPTALDH1A1KDM4EHPGD
SCHEMBL8060015 0.86 PDE10A (0.40) HTTMAPTALDH1A1KDM4EHPGD
SCHEMBL8059921 0.84 BRS3 (0.51) HTTMAPTALDH1A1KDM4EHPGD
SCHEMBL22668224 0.75 ATP1A1 (0.40) HTTMAPTALDH1A1KDM4EHPGD
SCHEMBL8070833 0.75 ALK (0.40) MAPTALDH1A1GPR119PDE3BPDE3A
SCHEMBL10617001 0.74 BRS3 (0.42) HTTMAPTALDH1A1KDM4EHPGD
SCHEMBL10618769 0.73 ATP4A (0.40) HTTMAPTALDH1A1KDM4EHPGD
SCHEMBL13285214 0.73 KMT2A (0.42) HTTMAPTALDH1A1KDM4EHPGD
SCHEMBL9527824 0.73 BRS3 (0.39) HTTMAPTALDH1A1KDM4EHPGD

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