SCHEMBL11099185

SCHEMBL11099185

CCN(CC)c1ccc(-c2ccc(N=C=Nc3ccc(-c4ccc(N(CC)CC)cc4)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
MAPK1 P28482 2/20 0.45
GFER P55789 2/20 0.45
PSMD14 O00487 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
ALDH3A1 P30838 1/20 0.42
ALDH1A3 P47895 1/20 0.42
KDM4E B2RXH2 5/20 0.42
GAA P10253 4/20 0.42
MEN1 O00255 8/20 0.41
KMT2A Q03164 8/20 0.41
MAPT P10636 6/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL11430133 0.94 ALDH1A1 (0.50) ALDH1A1L3MBTL1TDP1MAPK1GFER
SCHEMBL11324690 0.82 MAPT (0.57) ALDH1A1L3MBTL1TDP1MAPK1GFER
SCHEMBL21242233 0.82 MAPT (0.57) ALDH1A1L3MBTL1TDP1MAPK1GFER
SCHEMBL11324692 0.82 MAPT (0.57) ALDH1A1L3MBTL1TDP1MAPK1GFER
SCHEMBL17279056 0.82 MAPT (0.57) ALDH1A1L3MBTL1TDP1MAPK1GFER
SCHEMBL7153357 0.81 ALDH1A1 (0.64) ALDH1A1L3MBTL1TDP1MAPK1GFER
SCHEMBL11547210 0.81 ALDH1A1 (0.64) ALDH1A1L3MBTL1TDP1MAPK1GFER
SCHEMBL2853713 0.78 ALDH1A1 (0.53) ALDH1A1L3MBTL1TDP1MAPK1GFER
SCHEMBL1456966 0.78 P2RY6 (0.50) ALDH1A1L3MBTL1TDP1MAPK1GFER
SCHEMBL9161116 0.77 ALDH1A1 (0.58) ALDH1A1L3MBTL1TDP1MAPK1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0102132-A1 Reusable, heat-sensitive material APPLETON PAPERS INC. (US) 1984-03-07 EP claimed
EP-0102132-A1 Reusable, heat-sensitive material APPLETON PAPERS INC. (US) 1984-03-07 EP disclosed
US-4423116-A HEAT SENSITIVE CHROMOGENIC COMPOUND AND COLOR DEVELOPER IN BINDER APPLETON PAPERS INC. (US) 1983-12-27 US disclosed