SCHEMBL8197993

SCHEMBL8197993

NC(=O)CC1=NNc2ccccc2C=C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
SCN4A P35499 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
P2RX4 Q99571 1/20 0.31
CA2 P00918 1/20 0.30
EGFR P00533 1/20 0.30
SRC P12931 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
SCHEMBL4717203 0.86 GAA (0.38) MAPTGAALMNATSHRKDM4E
SCHEMBL8900868 0.84 GAA (0.38) MAPTGAALMNATSHRMAPK1
SCHEMBL8199079 0.81 SMN1; SMN2 (0.39) MAPTGAATSHRMAPK1KDM4E
SCHEMBL9934042 0.78 GAA (0.43) MAPTGAA
SCHEMBL8696697 0.78 GAA (0.43) MAPTGAA
SCHEMBL11710279 0.78 GAA (0.43) MAPTGAA
SCHEMBL8642184 0.77 KEAP1 (0.41) MAPTGAAMAPK1KDM4EALDH1A1
SCHEMBL4058588 0.76 MAPT (0.41) MAPTGAALMNATSHRMAPK1
SCHEMBL8552747 0.75 GAA (0.43) MAPTGAA
SCHEMBL4481007 0.73 MAPT (0.42) MAPTGAAMAPK1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2850068-A1 GPR17 RECEPTOR MODULATORS. Universita' degli Studi di Milano (IT) 2015-03-25 EP disclosed
WO-2013167177-A1 GPR17 RECEPTOR MODULATORS. UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2013-11-14 WO disclosed
EP-0979227-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-02-16 EP disclosed
WO-1998047882-A1 4,1-BENZOXAZEPINES, THEIR ANALOGUES, AND THEIR USE AS SOMATOSTATIN AGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-29 WO disclosed