SCHEMBL19805924

SCHEMBL19805924

COc1ccc(Cn2cc(-c3cc(C)nc(SCCC(C)OCc4ccccc4F)n3)cc(F)c2=O)cc1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ P2RX7 Q99572 9/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ GRK2 P25098 1/20 0.34
▸ VCP P55072 1/20 0.33
▸ DRD4 P21917 2/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL30526075 0.86 GRK2 (0.35) SMN1; SMN2P2RX7TDP1GRK2DRD4
SCHEMBL19805927 0.86 GRK2 (0.35) SMN1; SMN2P2RX7TDP1GRK2DRD4
SCHEMBL20985705 0.85 SDHB (0.40) SMN1; SMN2P2RX7GRK2DRD4SIGMAR1
SCHEMBL22912198 0.80 ALDH1A1 (0.38) SMN1; SMN2P2RX7TDP1GRK2VCP
SCHEMBL19806106 0.80 VCP (0.32) VCP
SCHEMBL23897443 0.79 EGFR (0.38) SMN1; SMN2VCPALDH1A1MEN1KMT2A
SCHEMBL22912304 0.79 HSD17B10 (0.35) VCPALDH1A1MAPK1
SCHEMBL22912303 0.79 VCP (0.33) VCP
SCHEMBL19806024 0.78 EGFR (0.35) SMN1; SMN2P2RX7VCPALDH1A1MAPK1
SCHEMBL19805945 0.77 POLB (0.34) P2RX7VCPALDH1A1MAPK1

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
Send feedback