SCHEMBL19805931

SCHEMBL19805931

CSc1nc(-c2ccc(C#N)cc2)cc(C(F)(F)F)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 4/20 0.44
TP53 P04637 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SDHB P21912 2/20 0.43
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPSR1 Q6W5P4 3/20 0.43
HSD17B10 Q99714 3/20 0.43
MAPK1 P28482 2/20 0.43
HPGD P15428 1/20 0.43
HSP90AB1 P08238 2/20 0.42
MAPT P10636 1/20 0.42
KIF11 P52732 1/20 0.41
PTGS2 P35354 1/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
STAT3 P40763 1/20 0.40

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
SCHEMBL20985691 0.86 MEN1 (0.45) MEN1KMT2AL3MBTL1TP53SMN1; SMN2
SCHEMBL19805940 0.85 MEN1 (0.45) MEN1KMT2AL3MBTL1SMN1; SMN2SDHB
SCHEMBL20985641 0.83 MEN1 (0.43) MEN1KMT2AL3MBTL1TP53SMN1; SMN2
SCHEMBL29976132 0.83 MEN1 (0.43) MEN1KMT2AL3MBTL1TP53SMN1; SMN2
SCHEMBL4718764 0.82 MEN1 (0.49) MEN1KMT2AL3MBTL1TP53SMN1; SMN2
SCHEMBL19805930 0.82 SDHB (0.57) MEN1KMT2AL3MBTL1TP53SMN1; SMN2
SCHEMBL19806054 0.82 KDM4E (0.60) MEN1KMT2AL3MBTL1TP53SMN1; SMN2
SCHEMBL20985669 0.81 KDM4E (0.61) MEN1KMT2AL3MBTL1TP53SMN1; SMN2
SCHEMBL19805780 0.79 KDM4E (0.66) MEN1KMT2ATP53SMN1; SMN2KDM4E
SCHEMBL602851 0.77 ALDH1A1 (0.37) MEN1KMT2AL3MBTL1TP53SMN1; SMN2

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