SCHEMBL3402828

SCHEMBL3402828

COc1ccc(-c2c3n(c4ccccc24)-c2ccc(Br)c(Cl)c2C3=O)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
NTRK1 P04629 3/20 0.43
PRKCA P17252 2/20 0.41
GSK3B P49841 2/20 0.41
PARP1 P09874 1/20 0.40
PKM P14618 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GLA P06280 1/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
HSP90AA1 P07900 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MMP10 P09238 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL3404138 0.85 NTRK1 (0.46) LMNAMAPTHTTNTRK1PRKCA
SCHEMBL3406408 0.81 NTRK1 (0.49) LMNAMAPTHTTNTRK1PRKCA
SCHEMBL155669 0.81 NTRK1 (0.53) LMNAMAPTHTTNTRK1PRKCA
SCHEMBL155109 0.76 KMT2A (0.38) LMNANTRK1HSD17B10KMT2AKDM4E
SCHEMBL155403 0.76 IDO1 (0.34) MAPTHTTNTRK1HSD17B10GLA
SCHEMBL3408983 0.73 KMT2A (0.38) LMNAMAPTHTTHSD17B10GLA
SCHEMBL28866215 0.67 CYP1A1 (0.59) LMNAMAPTHTTPRKCAGSK3B
SCHEMBL8327395 0.67 NTRK1 (0.48) LMNAMAPTHTTNTRK1PRKCA
SCHEMBL142587 0.67 KMT2A (0.40) LMNAMAPTHTTNTRK1KMT2A
SCHEMBL155671 0.66 MAPT (0.45) LMNAMAPTHTTNTRK1PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427431-B1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2013-05-01 EP disclosed
EP-2256103-A1 Novel indicator platform Biosynth AG (CH) 2010-12-01 EP disclosed