SCHEMBL3404138

SCHEMBL3404138

COc1ccc(-c2c3n(c4ccccc24)-c2cccc(Cl)c2C3=O)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.46
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
PRKCA P17252 1/20 0.43
GSK3B P49841 1/20 0.43
PARP1 P09874 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
IDO2 Q6ZQW0 1/20 0.41
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 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
SCHEMBL155669 0.85 NTRK1 (0.53) NTRK1MAPTLMNAHTTPRKCA
SCHEMBL3402828 0.85 LMNA (0.44) NTRK1MAPTLMNAHTTPRKCA
SCHEMBL3406408 0.84 NTRK1 (0.49) NTRK1MAPTLMNAHTTPRKCA
SCHEMBL155136 0.74 IDO1 (0.54) LMNAIDO1TDO2IDO2KMT2A
SCHEMBL289010 0.74 IDO1 (0.54) NTRK1LMNAIDO1TDO2IDO2
SCHEMBL155671 0.72 MAPT (0.45) NTRK1MAPTLMNAHTTPRKCA
SCHEMBL8327395 0.71 NTRK1 (0.48) NTRK1MAPTLMNAHTTPRKCA
SCHEMBL28866215 0.69 CYP1A1 (0.59) MAPTLMNAHTTPRKCAGSK3B
SCHEMBL142587 0.69 KMT2A (0.40) NTRK1MAPTLMNAHTTKMT2A
SCHEMBL21784548 0.69 CYP1A1 (0.53) MAPTLMNAKMT2ACYP1A1CYP1A2

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