SCHEMBL19806062

SCHEMBL19806062

CSc1nc(-c2ccccc2C)cc(C(F)(F)F)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SDHB P21912 2/20 0.59
HSP90AA1 P07900 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPK1 P28482 2/20 0.42
HPGD P15428 4/20 0.41
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MITF O75030 1/20 0.40
STAT3 P40763 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL19805929 0.85 MEN1 (0.44) SDHBMEN1KMT2ALMNAPOLB
SCHEMBL29977085 0.85 MEN1 (0.44) SDHBMEN1KMT2ALMNAPOLB
SCHEMBL29976648 0.84 LMNA (0.63) SDHBMEN1KMT2ALMNAPOLB
SCHEMBL19805783 0.83 MEN1 (0.42) SDHBMEN1KMT2ALMNAPOLB
SCHEMBL20985676 0.80 MEN1 (0.51) SDHBMEN1KMT2ALMNAPOLB
SCHEMBL20985721 0.77 MEN1 (0.40) SDHBMEN1KMT2ALMNAPOLB
SCHEMBL20985728 0.77 SDHB (0.49) SDHBMEN1KMT2ALMNAPOLB
SCHEMBL19805738 0.77 SDHB (0.67) SDHBMEN1KMT2ALMNAPOLB
SCHEMBL76562 0.77 GAA (0.50) MEN1KMT2ALMNAPOLBALDH1A1
SCHEMBL20985694 0.76 GPBAR1 (0.42) MEN1KMT2ALMNAALDH1A1L3MBTL1

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-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 EP disclosed
WO-2018014802-A1 APOPTOSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-01-25 WO disclosed