SCHEMBL16622751

SCHEMBL16622751

CCc1ccc2c(c1)N(C)c1ccc(C)cc1C=C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
MAPK1 P28482 5/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 3/20 0.41
PKM P14618 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 3/20 0.36
NPC1 O15118 2/20 0.36
HTT P42858 2/20 0.36
RAB9A P51151 2/20 0.36
MITF O75030 1/20 0.36
NSD2 O96028 1/20 0.34
RAD52 P43351 1/20 0.34

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
SCHEMBL9980160 0.85 MAPT (0.41) MAPTMAPK1KDM4EALDH1A1GAA
SCHEMBL20055030 0.78 BRD4 (0.33) MAPTMAPK1TDP1TP53L3MBTL1
SCHEMBL19885348 0.76 MAPT (0.44) MAPTMAPK1KDM4EALDH1A1GAA
SCHEMBL2756591 0.75 MAPK1 (0.36) MAPTMAPK1KDM4EALDH1A1GAA
SCHEMBL12841613 0.73 MEN1 (0.44) MAPTMAPK1KDM4EGAASMN1; SMN2
SCHEMBL2756790 0.72 NR1H3 (0.34) MAPTMAPK1KDM4EALDH1A1GAA
SCHEMBL21507788 0.69 MAPT (0.40) MAPTMAPK1KDM4EALDH1A1GAA
SCHEMBL4338325 0.67 NPC1 (0.40) MAPTMAPK1KDM4EALDH1A1GAA
SCHEMBL10133829 0.67 MAPT (0.38) MAPTMAPK1KDM4EALDH1A1GAA
SCHEMBL13070490 0.67 GAA (0.39) MAPTMAPK1KDM4EALDH1A1GAA

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-2857394-A1 Antiviral compounds Gilead Pharmasset LLC (US) 2015-04-08 EP disclosed