SCHEMBL19806054

SCHEMBL19806054

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
TP53 P04637 7/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MAPT P10636 5/20 0.57
ALDH1A1 P00352 3/20 0.57
NPSR1 Q6W5P4 2/20 0.57
LMNA P02545 2/20 0.57
MITF O75030 1/20 0.57
STAT3 P40763 1/20 0.57
STAT1 P42224 1/20 0.57
RAB9A P51151 1/20 0.57
TLR9 Q9NR96 1/20 0.57
RXFP1 Q9HBX9 3/20 0.53
MAPK1 P28482 3/20 0.51
HSD17B10 Q99714 3/20 0.51
THRB P10828 2/20 0.51
TDP1 Q9NUW8 1/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL4718764 0.88 MEN1 (0.49) KDM4ETP53L3MBTL1SMN1; SMN2MAPT
SCHEMBL19805930 0.88 SDHB (0.57) KDM4ETP53L3MBTL1SMN1; SMN2MAPT
SCHEMBL20985669 0.86 KDM4E (0.61) KDM4ETP53L3MBTL1SMN1; SMN2MAPT
SCHEMBL5592977 0.85 ALDH1A1 (0.64) KDM4ETP53L3MBTL1SMN1; SMN2MAPT
SCHEMBL19805780 0.84 KDM4E (0.66) KDM4ETP53SMN1; SMN2MAPTALDH1A1
SCHEMBL22912197 0.84 MEN1 (0.49) KDM4ETP53L3MBTL1SMN1; SMN2MAPT
SCHEMBL20985691 0.82 MEN1 (0.45) KDM4ETP53L3MBTL1SMN1; SMN2MAPT
SCHEMBL19805931 0.82 MEN1 (0.45) KDM4ETP53L3MBTL1SMN1; SMN2MAPT
SCHEMBL20985731 0.81 MEN1 (0.63) KDM4ETP53L3MBTL1SMN1; SMN2MAPT
SCHEMBL1257981 0.80 MAPT (0.53) KDM4ETP53L3MBTL1SMN1; SMN2MAPT

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