SCHEMBL7024853

SCHEMBL7024853

NC(=O)Nc1ccc2c(c1)C1=CCCCC1=N2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PEPD P12955 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
NPC1 O15118 1/20 0.33
DRD3 P35462 1/20 0.33
NT5E P21589 1/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KIF11 P52732 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
AKT2 P31751 2/20 0.31
EGFR P00533 2/20 0.30
GRM2 Q14416 1/20 0.30
PDPK1 O15530 1/20 0.30
PDK1 Q15118 1/20 0.30

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
Hydrochloric Acid SCHEMBL9109099 0.99 PEPD (0.33) PEPDALDH1A1HTR1AHTR7NPC1
SCHEMBL30485646 0.71 ACHE (0.34)
SCHEMBL28003519 0.71 ACHE (0.34)
SCHEMBL28065389 0.66 MEN1 (0.36) ALDH1A1MAPTHSD17B10MEN1LMNA
SCHEMBL5205748 0.62 NPC1 (0.63) ALDH1A1NPC1MAPTGAAMEN1
SCHEMBL22321742 0.61 TERT (0.61) ALDH1A1NPC1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL8884002 0.60 NPC1 (0.61) ALDH1A1NPC1MAPTGAAMEN1
SCHEMBL5062623 0.60 PEPD (0.80) PEPDALDH1A1NPC1MAPTGAA
SCHEMBL7837810 0.59 BAZ2B (0.73)
SCHEMBL11906514 0.58 PARP10 (0.56) HTR1AHTR7DRD3AKT2PDPK1

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
EP-0674621-B1 ENANTIOMERS OF CARBAZOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS VERNALIS LTD (GB) 2003-02-26 EP claimed