SCHEMBL30176340

SCHEMBL30176340

C/C=C/c1c(C#N)c2cc(O)ccc2n1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
POLB P06746 2/20 0.35
TDP2 O95551 1/20 0.34
MAPT P10636 4/20 0.34
GAA P10253 3/20 0.34
GFER P55789 1/20 0.33
HTT P42858 4/20 0.33
HPGD P15428 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
PKM P14618 2/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32

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
SCHEMBL23886858 1.00 KDM4E (0.41) KDM4EPOLBTDP2MAPTGAA
SCHEMBL30176326 0.81 POLB (0.47) KDM4EPOLBTDP2MAPTGAA
SCHEMBL23886821 0.81 POLB (0.47) KDM4EPOLBTDP2MAPTGAA
SCHEMBL1074433 0.80 MEN1 (0.40) KDM4EPOLBMAPTGAAHTT
SCHEMBL1078056 0.80 MEN1 (0.40) KDM4EPOLBMAPTGAAHTT
SCHEMBL1074435 0.80 MEN1 (0.40) KDM4EPOLBMAPTGAAHTT
SCHEMBL23886667 0.79 KDM4E (0.40) KDM4EPOLBTDP2MAPTGAA
SCHEMBL30337920 0.79 KDM4E (0.40) KDM4EPOLBTDP2MAPTGAA
SCHEMBL1077831 0.79 KDM4E (0.36) KDM4EPOLBTDP2HTTHPGD
SCHEMBL23898360 0.78 KDM4E (0.40) KDM4EPOLBTDP2MAPTGAA

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
CN-115916749-A Substituted 5-hydroxyindole compounds as alpha-1 antitrypsin modulators 弗特克斯药品有限公司 2023-04-04 CN disclosed
EP-4126817-A1 SUBSTITUTED 5-HYDROXYINDOLE COMPOUNDS AS MODULATORS OF ALPHA-1 ANTITRYPSIN Vertex Pharmaceuticals Incorporated (US) 2023-02-08 EP disclosed