SCHEMBL21852192

SCHEMBL21852192

COC(=O)CCSc1ccnc(N)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.42
GSTM2 P28161 1/20 0.42
KMT2A Q03164 4/20 0.39
PRNP P04156 1/20 0.39
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CXCR1 P25024 1/20 0.38
CXCR2 P25025 1/20 0.38
ALDH1A1 P00352 3/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
PTGS1 P23219 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL21855732 0.86 GSTP1 (0.43) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL29506065 0.86 GSTP1 (0.43) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL29506185 0.85 CXCR1 (0.42) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL18320494 0.85 KMT2A (0.43) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL21855915 0.85 CXCR1 (0.42) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL30660933 0.85 KMT2A (0.43) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL29603922 0.78 KMT2A (0.44) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL18320486 0.78 KMT2A (0.44) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL22848181 0.77 GSTP1 (0.40) GSTP1GSTM2KMT2APRNPPOLB
SCHEMBL18319841 0.76 KMT2A (0.45) GSTP1GSTM2KMT2APRNPPOLB

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-2020072656-A1 IMIDOZOPYRIMIDINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2020-04-09 WO disclosed