SCHEMBL14463535

SCHEMBL14463535

CCOC(=O)c1c(Cl)nc2ccccc2c1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.74
LMNA P02545 3/20 0.74
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
MAPT P10636 6/20 0.73
KDM4E B2RXH2 4/20 0.73
ALDH1A1 P00352 6/20 0.60
HPGD P15428 4/20 0.60
GAA P10253 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
CSF1R P07333 1/20 0.52
ADORA3 P0DMS8 1/20 0.50
CYP1A2 P05177 1/20 0.49
XBP1 P17861 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GRM6 O15303 1/20 0.49
MAPK10 P53779 1/20 0.48

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
SCHEMBL14463975 0.94 SMN1; SMN2 (0.66) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL10474547 0.92 SMN1; SMN2 (0.63) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL14463978 0.90 SMN1; SMN2 (0.60) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL14916920 0.88 FABP4 (0.62) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL31442528 0.86 SMN1; SMN2 (0.97) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL5505353 0.86 SMN1; SMN2 (0.97) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL1063212 0.85 KDM4E (0.59) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL29799068 0.85 KDM4E (0.59) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL7248226 0.85 KDM4E (0.70) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL27327783 0.84 KDM4E (0.57) SMN1; SMN2LMNAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007074491-A1 HETEROTRICYCLIC AMIDE DERIVATIVES AS NEUROKININ-l (NKl) RECEPTOR LIGANDS UNIVERSITA DEGLI STUDI DI SIENA (IT) 2007-07-05 WO disclosed