SCHEMBL6673541

SCHEMBL6673541

CCc1ccc(C(=O)c2ccc(CC)cc2[N])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.49
ALDH1A1 P00352 5/20 0.48
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
GAA P10253 5/20 0.41
LTC4S Q16873 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 2/20 0.39
CA12 O43570 1/20 0.39
ALPL P05186 1/20 0.39
CA9 Q16790 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
AGTR1 P30556 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
SCHEMBL51624 0.79 PLK1 (0.49) PLK1ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL1420067 0.79 PLK1 (0.49) PLK1ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL2534273 0.79 PLK1 (0.49) PLK1ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL2935942 0.77 ALDH1A1 (0.70) PLK1ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL6445457 0.75 ALDH1A1 (0.62) PLK1ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL5709902 0.75 MEN1 (0.62) PLK1ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL30375217 0.75 MEN1 (0.62) PLK1ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL9856867 0.75 SRD5A2 (0.51) PLK1ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL11231215 0.75 SRD5A2 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2AGAA
SCHEMBL8074168 0.73 GAA (0.59) PLK1ALDH1A1MAPTSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206456-B1 THERMOCHROMIC RYLENE DYES BASF AG (DE) 2004-11-17 EP disclosed
EP-1370612-B1 THERMOCHROMIC RYLENE DYES BASF AG (DE) 2004-09-22 EP disclosed
EP-1206456-A1 THERMOCHROMIC RYLENE DYES BASF AKTIENGESELLSCHAFT (DE) 2002-05-22 EP disclosed
WO-2001016109-A1 THERMOCHROMIC RYLENE DYES BASF AKTIENGESELLSCHAFT (DE) 2001-03-08 WO disclosed