SCHEMBL19805940

SCHEMBL19805940

CSc1nc(-c2cccc(C#N)c2)cc(C(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALPL P05186 1/20 0.45
ALPI P09923 1/20 0.45
SYK P43405 2/20 0.45
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
XDH P47989 1/20 0.42
SDHB P21912 2/20 0.42
IDO1 P14902 1/20 0.41
MAPK1 P28482 2/20 0.41
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL19805931 0.85 MEN1 (0.45) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL3557728 0.81 LMNA (0.55) MEN1KMT2ACTSSCTSKALDH1A1
SCHEMBL22912193 0.81 SDHB (0.60) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL22912197 0.81 MEN1 (0.49) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL30484391 0.80 XDH (0.51) CTSSCTSKL3MBTL1XDHIDO1
SCHEMBL19806057 0.80 MEN1 (0.51) MEN1KMT2ASYKALDH1A1L3MBTL1
SCHEMBL21379948 0.80 XDH (0.51) CTSSCTSKL3MBTL1XDHIDO1
SCHEMBL9792857 0.80 CTSS (0.47) CTSSCTSKXDHIDO1
SCHEMBL29976351 0.80 MEN1 (0.51) MEN1KMT2ASYKALDH1A1L3MBTL1
SCHEMBL9792887 0.80 CTSS (0.47) CTSSCTSKXDHIDO1

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