SCHEMBL10588491

SCHEMBL10588491

CC1CC(=O)c2ccccc2N1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.42
S100A4 P26447 1/20 0.38
ACHE P22303 1/20 0.38
TTR P02766 1/20 0.35
CES1 P23141 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
HTR2C P28335 3/20 0.35
HTR2A P28223 2/20 0.35
HTR2B P41595 2/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
AR P10275 1/20 0.34
CYP19A1 P11511 1/20 0.34
MAOB P27338 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL14765002 0.80 GPR3 (0.46) NOTUMS100A4ACHETTRCES1
SCHEMBL5835789 0.75 NOTUM (0.64) NOTUMCES1ALDH1A1KDM4EMAPT
SCHEMBL221250 0.75 NOTUM (0.64) NOTUMCES1ALDH1A1KDM4EMAPT
SCHEMBL22292629 0.73 NOTUM (0.53) NOTUMKMT2AMEN1HTR2CHTR2A
SCHEMBL14305775 0.71 ALDH1A1 (0.39) NOTUMS100A4CES1KMT2AMEN1
SCHEMBL5397337 0.71 LMNA (0.51) NOTUMKMT2AMEN1ALDH1A1LMNA
SCHEMBL6649103 0.69 BCHE (0.43) NOTUMALDH1A1LMNA
SCHEMBL30346306 0.69 BCHE (0.43) NOTUMALDH1A1LMNA
SCHEMBL29866320 0.68 NOTUM (0.42) NOTUMS100A4TTRCES1TSHR
SCHEMBL8229278 0.67 KCNN4 (0.55) KMT2AHTR2CHTR2AALDH1A1LMNA

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-0323189-A2 Optically active benzoquinolizine compounds, process for preparing same, and antibacterial preparation containing same as active ingredient TOKYO TANABE COMPANY LIMITED (JP) 1989-07-05 EP claimed
EP-0323189-A2 Optically active benzoquinolizine compounds, process for preparing same, and antibacterial preparation containing same as active ingredient TOKYO TANABE COMPANY LIMITED (JP) 1989-07-05 EP disclosed