SCHEMBL8199079

SCHEMBL8199079

COC(=O)CC1=NNc2ccccc2C=C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
P2RX4 Q99571 1/20 0.36
POLB P06746 1/20 0.36
EGFR P00533 3/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL9866429 0.86 HSD17B10 (0.42) SMN1; SMN2ALDH1A1HSD17B10KDM4EMAPK1
SCHEMBL4717203 0.82 GAA (0.38) SMN1; SMN2MAPTRAB9AALDH1A1KDM4E
SCHEMBL8197993 0.81 MAPT (0.37) SMN1; SMN2MAPTRAB9AALDH1A1KDM4E
SCHEMBL11710279 0.75 GAA (0.43) MAPTGAA
SCHEMBL9934042 0.75 GAA (0.43) MAPTGAA
SCHEMBL27427681 0.75 SMN1; SMN2 (0.42) SMN1; SMN2MAPTRAB9AALDH1A1HSD17B10
SCHEMBL8642184 0.74 KEAP1 (0.41) SMN1; SMN2MAPTALDH1A1HSD17B10KDM4E
SCHEMBL8696697 0.72 GAA (0.43) MAPTGAA
SCHEMBL8552747 0.72 GAA (0.43) MAPTGAA
SCHEMBL8900868 0.71 GAA (0.38) SMN1; SMN2MAPTALDH1A1MAPK1EGFR

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-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