SCHEMBL22995644

SCHEMBL22995644

CCNc1ccc(Nc2ccccc2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 3/20 0.47
GAA P10253 3/20 0.46
ALDH1A1 P00352 7/20 0.45
MAPT P10636 7/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
AR P10275 1/20 0.45
HSD17B10 Q99714 5/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
TSHR P16473 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
ALOX12 P18054 3/20 0.45
MAPK1 P28482 2/20 0.45
ALOX15 P16050 2/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
PTGS2 P35354 1/20 0.45
HTR2B P41595 1/20 0.45
CYP3A4 P08684 5/20 0.43

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
SCHEMBL3344456 0.86 GAA (0.54) NPSR1HPGDGAAALDH1A1MAPT
SCHEMBL27512208 0.84 KCNH3 (0.47) NPSR1HPGDGAAALDH1A1MAPT
Benzene SCHEMBL29197172 0.83 GAA (0.62) NPSR1HPGDGAAALDH1A1MAPT
SCHEMBL8738783 0.83 GAA (0.62) NPSR1HPGDGAAALDH1A1MAPT
SCHEMBL9172326 0.81 RECQL (0.47) HPGDGAAALDH1A1MAPTAR
SCHEMBL20727284 0.80 HPGD (0.52) NPSR1HPGDGAAALDH1A1MAPT
Hydrochloric Acid SCHEMBL6357371 0.80 RECQL (0.46) HPGDGAAALDH1A1MAPTAR
SCHEMBL30514613 0.79 HPGD (0.67) NPSR1HPGDGAAALDH1A1MAPT
SCHEMBL23609784 0.79 NPSR1 (0.44) NPSR1HPGDGAAALDH1A1MAPT
SCHEMBL27314452 0.78 GAA (0.53) NPSR1HPGDGAAALDH1A1MAPT

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-3780207-A1 NOVEL MEDIATOR Kikkoman Corporation (JP) 2021-02-17 EP disclosed