SCHEMBL19805944

SCHEMBL19805944

COc1ncc(-c2cc(C)nc(SCCC(OCc3ccccc3F)c3ccccc3)n2)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 2/20 0.35
▸ MGAM O43451 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SI P14410 1/20 0.34
▸ MGAM2 Q2M2H8 1/20 0.34
▸ PKM P14618 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MIF P14174 1/20 0.33
▸ RXFP1 Q9HBX9 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.31
▸ LMNA P02545 3/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SLC6A2 P23975 1/20 0.30
▸ CACNA2D1 P54289 1/20 0.30
▸ PIK3CG P48736 1/20 0.30

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
SCHEMBL21019518 0.90 MGAM (0.35) VCPMGAMGAASIMGAM2
SCHEMBL21019942 0.83 VCP (0.33) VCPPKMALDH1A1KDM4EMIF
SCHEMBL21019880 0.82 ALOX5AP (0.33) ALOX5APFEN1RXFP1SLC6A2CACNA2D1
SCHEMBL21019817 0.81 MGAM (0.31) VCPMGAMGAASIMGAM2
SCHEMBL23503516 0.81 S1PR4 (0.33) ALOX5APFEN1RXFP1HSD17B10LMNA
SCHEMBL19806108 0.81 VCP (0.36) VCPMGAMGAASIMGAM2
SCHEMBL19805945 0.80 POLB (0.34) VCPGAAALDH1A1MAPTPOLB
SCHEMBL21019535 0.79 AKR1B1 (0.35) VCPMGAMGAASIMGAM2
SCHEMBL22912281 0.76 EGFR (0.36) VCPGAAALDH1A1KDM4ERXFP1
SCHEMBL21019883 0.76 TOP2A (0.32) VCP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018014802-A1 APOPTOSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-01-25 — — WO disclosed
Send feedback