SCHEMBL1462014

SCHEMBL1462014

CC[n+]1cccc(C)c1.Cl[Fe-](Cl)(Cl)Cl

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
LMNA P02545 2/20 0.41
GGPS1 O95749 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GFER P55789 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL29556923 0.92
SCHEMBL294294 0.92
Iodide SCHEMBL4324715 0.90 KMT2A (0.47) PABPC1KMT2AATMLMNAGGPS1
Hydrochloric Acid SCHEMBL30330570 0.90 PABPC1 (0.47) PABPC1KMT2AATMLMNAGGPS1
Fluoride Ion SCHEMBL30212627 0.90 PABPC1 (0.47) PABPC1KMT2AATMLMNAGGPS1
Water SCHEMBL15375305 0.90 PABPC1 (0.47) PABPC1KMT2AATMLMNAGGPS1
Bromide SCHEMBL557020 0.90 PABPC1 (0.51) PABPC1KMT2AATMLMNAGGPS1
Hydrochloric Acid SCHEMBL557275 0.90 PABPC1 (0.47) PABPC1KMT2AATMLMNAGGPS1
SCHEMBL15535626 0.86 PABPC1 (0.49) PABPC1KMT2AATMLMNAGGPS1
SCHEMBL28433763 0.84 PABPC1 (0.44) PABPC1KMT2AATMLMNAGGPS1

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
WO-2011026972-A1 PROCESS FOR THE REMOVAL OF AROMATIC COMPOUNDS FROM A MIXTURE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2011-03-10 WO claimed
WO-2011026972-A1 PROCESS FOR THE REMOVAL OF AROMATIC COMPOUNDS FROM A MIXTURE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2011-03-10 WO disclosed