SCHEMBL5576934

SCHEMBL5576934

CN(C)c1cccc2c1-c1ccccc1-c1ccccc1-c1ccccc1-2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
ALDH1A1 P00352 5/20 0.59
L3MBTL1 Q9Y468 4/20 0.59
MAPK1 P28482 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
NSD2 O96028 1/20 0.59
EGFR P00533 1/20 0.59
LMNA P02545 1/20 0.59
PDK2 Q15119 1/20 0.47
GAA P10253 3/20 0.44
KDM4E B2RXH2 3/20 0.44
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 1/20 0.39
PTK2B Q14289 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CHEK1 O14757 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
SCHEMBL5535931 0.83 ALDH1A1 (0.85) MAPTALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL2362908 0.83 MAPT (0.85) MAPTALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL17988028 0.79 PTPN1 (0.40) MAPTALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL2919461 0.76 MAPT (0.52) MAPTALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL10280911 0.76 ALDH1A1 (0.53) MAPTALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL7915840 0.76 ALDH1A1 (0.53) MAPTALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL18922435 0.76 MAPT (0.53) MAPTALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL18984785 0.74 MAPT (0.88) MAPTALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL7520089 0.74 MAPT (0.52) MAPTALDH1A1L3MBTL1MAPK1TDP1
SCHEMBL187706 0.74 L3MBTL1 (1.00) MAPTALDH1A1L3MBTL1MAPK1TDP1

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
EP-1835007-A2 Nanofibres from functionalised organic molecules Carl von Ossietzky Universität Oldenburg (DE) 2007-09-19 EP disclosed