SCHEMBL6534208

SCHEMBL6534208

Cc1cccc2c(CCC(N)CO)cc(-c3ccccc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
PLAUR Q03405 2/20 0.42
POLB P06746 1/20 0.41
ACACA Q13085 2/20 0.39
PDE10A Q9Y233 2/20 0.38
CCR6 P51684 1/20 0.38
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.37
PTGER4 P35408 1/20 0.37
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36

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
SCHEMBL6534354 0.86 MAPT (0.45) MAPTPOLBACACAPDE10AMEN1
SCHEMBL6534203 0.85 PDE10A (0.54) TP53MAPTKDM4ELMNAHTT
SCHEMBL6534631 0.80 ALDH1A1 (0.50) MAPTKDM4ELMNAMEN1HPGD
SCHEMBL28118267 0.77 KDM4E (0.43) TP53MAPTKDM4ELMNAHTT
SCHEMBL28621639 0.76 KDM4E (0.47) TP53MAPTKDM4ELMNAHTT
SCHEMBL6534237 0.75 MAPK1 (0.50) MAPTKDM4EHTTPOLBACACA
SCHEMBL6534271 0.75 KDM4E (0.54) MAPTKDM4ELMNAHTTACACA
SCHEMBL18698086 0.74 KDM4E (0.52) TP53MAPTKDM4ELMNAHTT
SCHEMBL28115476 0.73 POLB (0.57) TP53MAPTKDM4ELMNAHTT
SCHEMBL3617718 0.71 KDM4E (0.53) TP53MAPTKDM4ELMNAHTT

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-1088818-B1 Quinolin-4-yl derivatives HOFFMANN LA ROCHE (CH) 2004-11-03 EP claimed