SCHEMBL20008383

SCHEMBL20008383

C/C(=C\C(=C/NC=O)c1cc(Nc2ccccc2)ccc1C)N1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
RAB9A P51151 5/20 0.36
NPC1 O15118 3/20 0.36
MAPK14 Q16539 2/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
ALDH1A1 P00352 6/20 0.35
GAA P10253 6/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
CYP1A2 P05177 1/20 0.33

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
SCHEMBL20008487 0.77 NPC1 (0.36) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL20009063 0.76 NPC1 (0.39) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL20008363 0.74 MAPT (0.37) MAPTRAB9ANPC1ALDH1A1GAA
SCHEMBL20008164 0.73 MAPT (0.32) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL20009447 0.73 MAPT (0.33) MAPTALDH1A1GAA
SCHEMBL20009373 0.63 USP2 (0.41) MAPTALDH1A1
SCHEMBL20008179 0.62 MAPT (0.31) MAPT
SCHEMBL20008531 0.62
SCHEMBL20009507 0.61 MAPT (0.33) MAPTALDH1A1
SCHEMBL20008321 0.60 OPRK1 (0.32) MAPTALDH1A1

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-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed