SCHEMBL28307463

SCHEMBL28307463

O=[SH](=O)Cc1nc(-n2cccn2)cc(C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
ADORA2A P29274 4/20 0.37
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 0.34
CTSS P25774 1/20 0.33
ADORA1 P30542 2/20 0.32
MAPK1 P28482 2/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM6B O15054 1/20 0.31
LMNA P02545 3/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
MAPK10 P53779 1/20 0.30
GAA P10253 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
SCHEMBL19805960 0.72 SDHB (0.52) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL28874911 0.70 HSD17B10 (0.55) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL28234513 0.69 HIF1A (0.35) KDM4EALDH1A1ADORA2AADORA1LMNA
SCHEMBL28307430 0.69 KDM4E (0.56) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL28307443 0.68 KDM4E (0.49) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL5483640 0.68 ALDH1A1 (0.46) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL27344382 0.67 GRM4 (0.31)
SCHEMBL28306273 0.66 NT5E (0.43) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL28874912 0.65 SDHB (0.58) KDM4EALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL28306459 0.65 SDHB (0.41) KDM4EHPGDMAPK1HTTNPSR1

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
CN-110023292-A Apoptosis inhibitor 北京生命科学研究所 2019-07-16 CN disclosed