SCHEMBL143408

SCHEMBL143408

COc1cc2c(cc1OC)-n1c(c(Br)c3ccccc31)C2=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
GAA P10253 1/20 0.37
PRKCA P17252 1/20 0.35
GSK3B P49841 1/20 0.35
HTR6 P50406 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
SCHEMBL140840 0.82 TDO2 (0.39) NTRK1MEN1KMT2A
SCHEMBL143411 0.81 TDO2 (0.39) NTRK1MEN1KMT2AMAPTLMNA
SCHEMBL143252 0.80 TDO2 (0.39) NTRK1MEN1KMT2AGSK3B
SCHEMBL142587 0.79 KMT2A (0.40) NTRK1MEN1KMT2AMAPTLMNA
SCHEMBL143247 0.77 IDO1 (0.45) NTRK1KMT2AMAPTLMNAHTT
SCHEMBL154801 0.68 LMNA (0.43) NTRK1MEN1KMT2AMAPTLMNA
SCHEMBL155669 0.68 NTRK1 (0.53) NTRK1MEN1KMT2AMAPTLMNA
SCHEMBL143891 0.67 DNMT1 (0.38) MEN1KMT2AMAPTHTT
SCHEMBL28187482 0.66 NTRK1 (0.48) NTRK1MEN1KMT2AMAPTLMNA
SCHEMBL28140470 0.63 KDM4E (0.38) MEN1KMT2AMAPTLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940909-B2 Indicator platform BIOSYNTH AG (CH) 2015-01-27 US disclosed
US-8940909-B2 Indicator platform BIOSYNTH AG (CH) 2015-01-27 US disclosed
EP-2427431-B1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2013-05-01 EP disclosed
US-20120058503-A1 Novel Indicator Platform BIOSYNTH AG (CH) 2012-03-08 US disclosed
US-20120058503-A1 Novel Indicator Platform BIOSYNTH AG (CH) 2012-03-08 US disclosed
WO-2010128120-A1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2010-11-11 WO disclosed