SCHEMBL7770227

SCHEMBL7770227

CCOC(OCC)c1n(C)c2ccccc2[n+]1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ERAP1 Q9NZ08 1/20 0.40
LMNA P02545 5/20 0.39
RAB9A P51151 3/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
APOBEC3A P31941 5/20 0.36
APOBEC3G Q9HC16 5/20 0.36
RGS12 O14924 2/20 0.36
PTPN1 P18031 1/20 0.34
POLB P06746 1/20 0.33
APAF1 O14727 1/20 0.33
RAD52 P43351 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL15182269 0.76 ERAP1 (0.46) KDM4EALDH1A1MAPTL3MBTL1ERAP1
SCHEMBL12645032 0.73 ERAP1 (0.44) KDM4EALDH1A1MAPTL3MBTL1ERAP1
SCHEMBL19102582 0.73 LMNA (0.51) KDM4EALDH1A1MAPTL3MBTL1ERAP1
Water SCHEMBL31058792 0.71 LMNA (0.50) KDM4EALDH1A1MAPTL3MBTL1ERAP1
Iodide SCHEMBL31058795 0.71 LMNA (0.50) KDM4EALDH1A1MAPTL3MBTL1ERAP1
Perchlorate SCHEMBL269183 0.71 ERAP1 (0.42) KDM4EALDH1A1MAPTL3MBTL1ERAP1
SCHEMBL1049324 0.66 ERAP1 (0.50) KDM4EALDH1A1MAPTL3MBTL1ERAP1
SCHEMBL23641666 0.65 ERAP1 (0.49) KDM4EALDH1A1MAPTL3MBTL1ERAP1
Iodide SCHEMBL9134481 0.65 PTPN1 (0.50) KDM4EALDH1A1MAPTL3MBTL1ERAP1
Water SCHEMBL21823213 0.65 ERAP1 (0.49) KDM4EALDH1A1MAPTL3MBTL1ERAP1

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-2001089460-A2 COLORANT FOR FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-29 WO disclosed