SCHEMBL5291587

SCHEMBL5291587

CCCCCCCCCCCCCCCn1cc[n+](CCCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ HSP90AA1 P07900 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ EEF2K O00418 2/20 0.47
▸ EEF2 P13639 2/20 0.47
▸ PLK4 O00444 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ EGFR P00533 1/20 0.47
▸ TYK2 P29597 1/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ ITK Q08881 1/20 0.47
▸ PIM2 Q9P1W9 1/20 0.47
▸ APAF1 O14727 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ PLA2G1B P04054 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47

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
Hydrochloric Acid SCHEMBL9664604 0.95 MEN1 (0.47) MEN1KMT2AHSP90AA1SMN1; SMN2EEF2K
Hydrochloric Acid SCHEMBL9661522 0.95 MEN1 (0.47) MEN1KMT2AHSP90AA1SMN1; SMN2EEF2K
SCHEMBL17316663 0.88 MEN1 (0.54) MEN1KMT2AHSP90AA1SMN1; SMN2EEF2K
SCHEMBL21250472 0.87 PON1 (0.43) MEN1KMT2AHSP90AA1SMN1; SMN2EEF2K
Hydrochloric Acid SCHEMBL9661802 0.86 MEN1 (0.46) MEN1KMT2AHSP90AA1SMN1; SMN2APAF1
Bromide SCHEMBL9663292 0.86 MEN1 (0.49) MEN1KMT2AHSP90AA1SMN1; SMN2APAF1
SCHEMBL5813635 0.85 MEN1 (0.53) MEN1KMT2AHSP90AA1SMN1; SMN2EEF2K
SCHEMBL5284658 0.85 MEN1 (0.53) MEN1KMT2AHSP90AA1SMN1; SMN2EEF2K
SCHEMBL5298457 0.85 MEN1 (0.53) MEN1KMT2AHSP90AA1SMN1; SMN2EEF2K
SCHEMBL5295976 0.85 MEN1 (0.53) MEN1KMT2AHSP90AA1SMN1; SMN2EEF2K

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
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 — — WO disclosed
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