SCHEMBL3408432

SCHEMBL3408432

Cn1cccc1-c1c2n(c3ccccc13)-c1cc(Cl)ccc1C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
IDO2 Q6ZQW0 1/20 0.46
NTRK1 P04629 7/20 0.41
GSK3B P49841 3/20 0.38
GSK3A P49840 2/20 0.38
MEN1 O00255 1/20 0.38
RGS12 O14924 1/20 0.38
GMNN O75496 1/20 0.38
USP2 O75604 1/20 0.38
CCNB2 O95067 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CDK1 P06493 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL154458 0.80 IDO1 (0.54) IDO1TDO2IDO2NTRK1MEN1
SCHEMBL152432 0.79 IDO1 (0.55) IDO1TDO2IDO2NTRK1GSK3B
SCHEMBL3408954 0.76 IDO1 (0.55) IDO1TDO2IDO2NTRK1GSK3B
SCHEMBL152297 0.75 IDO1 (0.46) IDO1TDO2IDO2NTRK1MEN1
SCHEMBL3404195 0.74 IDO1 (0.50) IDO1TDO2IDO2NTRK1APAF1
SCHEMBL3406408 0.74 NTRK1 (0.49) IDO1TDO2IDO2NTRK1GSK3B
SCHEMBL153093 0.72 IDO1 (0.46) IDO1TDO2IDO2MEN1KMT2A
SCHEMBL155750 0.70 IDO1 (0.43) IDO1TDO2IDO2NTRK1GSK3B
SCHEMBL28431351 0.67 NTRK1 (0.54) NTRK1GSK3BGSK3AMEN1RGS12
SCHEMBL8127015 0.65 S100A4 (0.42) IDO1TDO2IDO2APAF1PTPN1

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