SCHEMBL9053137

SCHEMBL9053137

NOC(=O)C(O)Cc1c[nH]c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.69
MAPT P10636 3/20 0.59
KDM4E B2RXH2 2/20 0.59
MEN1 O00255 2/20 0.59
LMNA P02545 2/20 0.59
KMT2A Q03164 2/20 0.59
MPO P05164 1/20 0.59
TSHR P16473 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
HIF1A Q16665 1/20 0.59
POLB P06746 2/20 0.56
APAF1 O14727 1/20 0.56
RECQL P46063 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HTR2A P28223 2/20 0.54
SLC6A2 P23975 2/20 0.54
ADRB1 P08588 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54

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
SCHEMBL626831 0.86 MAPT (0.72) SMN1; SMN2MAPTKDM4EMEN1LMNA
SCHEMBL29769924 0.86 SMN1; SMN2 (0.69) SMN1; SMN2MAPTKDM4EMEN1LMNA
SCHEMBL28780405 0.86 MAPT (0.72) SMN1; SMN2MAPTKDM4EMEN1LMNA
SCHEMBL30682399 0.86 SMN1; SMN2 (0.69) SMN1; SMN2MAPTKDM4EMEN1LMNA
SCHEMBL6855264 0.86 SMN1; SMN2 (0.69) SMN1; SMN2MAPTKDM4EMEN1LMNA
SCHEMBL30912053 0.86 SMN1; SMN2 (0.69) SMN1; SMN2MAPTKDM4EMEN1LMNA
SCHEMBL30912054 0.86 SMN1; SMN2 (0.69) SMN1; SMN2MAPTKDM4EMEN1LMNA
SCHEMBL13790109 0.86 SMN1; SMN2 (0.69) SMN1; SMN2MAPTKDM4EMEN1LMNA
SCHEMBL6278978 0.84 SMN1; SMN2 (0.68) SMN1; SMN2MAPTKDM4EMEN1LMNA
SCHEMBL29043130 0.84 MAPT (0.70) SMN1; SMN2MAPTKDM4EMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719777-A2 N-oxotetrahydro-beta-carbolines DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1996-07-03 EP disclosed
US-5348949-A Method of preparing N-oxo-tetrahydro-β-carbolines DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1994-09-20 US disclosed
US-5106840-A Cyclization of substituted indoles DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1992-04-21 US disclosed
EP-0401929-A2 Method of preparing N-oxotetrahydro- -carbolines DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1990-12-12 EP disclosed