SCHEMBL28093261

SCHEMBL28093261

COCCCO[n+]1cccc(C)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.32
GGPS1 O95749 1/20 0.31
PABPC1 P11940 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL2326852 0.76 LMNA (0.35) GGPS1PABPC1KMT2AATM
Iodide SCHEMBL3941507 0.74 LMNA (0.34) MAPK1GGPS1PABPC1KMT2AATM
SCHEMBL2327067 0.73
SCHEMBL13865850 0.70 ALDH1A1 (0.32) PABPC1KMT2AATM
Toluene SCHEMBL28175720 0.66 LMNA (0.48) MAPK1KMT2A
SCHEMBL12039668 0.64 HDAC8 (0.35) PABPC1KMT2AATM
Bromide SCHEMBL11325254 0.63 HTT (0.38) MAPK1KMT2A
SCHEMBL10391373 0.63 SMN1; SMN2 (0.35) GGPS1PABPC1KMT2AATM
SCHEMBL12038820 0.63 HDAC8 (0.34) PABPC1KMT2AATM
Toluene SCHEMBL8093134 0.62 LTA4H (0.48) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103965166-B Rabeprazole intermediate impurities 2-{ [4-(3-methoxy propoxy)-3-oxide of mathylpyridine-2-base] methyl sulfur } preparation method of-1H-benzimidazole 东南大学 2016-08-17 CN disclosed