SCHEMBL2851004

SCHEMBL2851004

O=[C]Sc1ccc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 5/20 0.50
PRNP P04156 5/20 0.50
KDM4E B2RXH2 2/20 0.50
NPSR1 Q6W5P4 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPK10 P53779 2/20 0.47
RAB9A P51151 1/20 0.46
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NCF1 P14598 3/20 0.42
NOS2 P35228 1/20 0.42
BACE1 P56817 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
CYP1A2 P05177 1/20 0.42
MGAM O43451 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL6899659 0.76 RXFP1 (0.53) RXFP1PRNPKDM4ENPSR1ALDH1A1
SCHEMBL2098479 0.76 RXFP1 (0.53) RXFP1PRNPKDM4ENPSR1ALDH1A1
SCHEMBL2817162 0.72 CYP1A2 (0.58) RXFP1PRNPKDM4ENPSR1ALDH1A1
SCHEMBL4370424 0.72 RXFP1 (0.50) RXFP1PRNPKDM4ENPSR1ALDH1A1
SCHEMBL29979791 0.72 CYP1A2 (0.58) RXFP1PRNPKDM4ENPSR1ALDH1A1
SCHEMBL2200585 0.72 NCF1 (0.52) RXFP1PRNPKDM4ENPSR1ALDH1A1
SCHEMBL11326601 0.72 RXFP1 (0.50) RXFP1PRNPKDM4ENPSR1ALDH1A1
SCHEMBL10411067 0.72 RXFP1 (0.50) RXFP1PRNPKDM4ENPSR1ALDH1A1
SCHEMBL10410970 0.72 RXFP1 (0.50) RXFP1PRNPKDM4ENPSR1ALDH1A1
SCHEMBL5807877 0.72 RXFP1 (0.51) RXFP1PRNPKDM4ENPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809653-B1 SUBSTITUTED NONADEPSIPEPTIDES AICURIS GMBH & CO KG (DE) 2010-01-20 EP disclosed
EP-1809653-A1 SUBSTITUTED NONADEPSIPEPTIDES AiCuris GmbH & Co. KG (DE) 2007-07-25 EP disclosed
WO-2006042654-A1 SUBSTITUTED NONADEPSIPEPTIDES AICURIS GMBH & CO. KG (DE) 2006-04-27 WO disclosed