SCHEMBL10698917

SCHEMBL10698917

CCN(CC)c1ccccc1C[S+]([O-])c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
FTO Q9C0B1 1/20 0.34
CRHR1 P34998 4/20 0.33
AURKA O14965 1/20 0.33
ACHE P22303 1/20 0.32
ATP4A P20648 1/20 0.32
ATP4B P51164 1/20 0.32

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
SCHEMBL9395890 0.89 ATP4A (0.39) LMNAALDH1A1KDM4EMEN1MAPT
SCHEMBL9398029 0.86 LMNA (0.48) LMNACYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL9395764 0.85 ALDH1A1 (0.38) LMNACYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL9395895 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1MAPTHPGD
SCHEMBL6475073 0.82 ATP4A (0.45) LMNAALDH1A1KDM4EMEN1MAPT
SCHEMBL10698492 0.81 LMNA (0.36) LMNAALDH1A1KDM4EMEN1MAPT
SCHEMBL9676077 0.80 LMNA (0.44) LMNACYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL10478366 0.80 LMNA (0.33) LMNACYP1A2CYP2D6CYP2C19AR
SCHEMBL9395776 0.80 RAB9A (0.46) LMNACYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL9396516 0.76 ATP4A (0.40) LMNACYP1A2CYP2D6CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0251536-A1 Benzimidazoles, their production, formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1988-01-07 EP claimed
EP-0251536-A1 Benzimidazoles, their production, formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1988-01-07 EP disclosed