SCHEMBL21661514

SCHEMBL21661514

Cc1ccc(N2CC(C)OC(CO)C2)c2cccnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MEN1 O00255 4/20 0.40
GAA P10253 3/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
USP2 O75604 2/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HTT P42858 4/20 0.39
SLC6A2 P23975 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
EIF2AK4 Q9P2K8 1/20 0.38
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 3/20 0.36
MAPT P10636 2/20 0.36
RECQL P46063 1/20 0.36
TLR8 Q9NR97 4/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36

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
SCHEMBL21645231 1.00 KMT2A (0.40) KMT2AMEN1GAALMNASMN1; SMN2
SCHEMBL21645166 0.87 NCF1 (0.45) KMT2AMEN1TDP1EIF2AK4KDM4E
SCHEMBL16634109 0.86 TLR8 (0.51) GAASMN1; SMN2ALDH1A1TLR8TLR9
SCHEMBL16633347 0.86 TLR8 (0.51) GAASMN1; SMN2ALDH1A1TLR8TLR9
SCHEMBL19828894 0.86 TLR8 (0.51) GAASMN1; SMN2ALDH1A1TLR8TLR9
SCHEMBL16634353 0.86 TLR8 (0.51) GAASMN1; SMN2ALDH1A1TLR8TLR9
SCHEMBL21661509 0.84 KDM4E (0.40) KMT2AGAALMNAHTTSLC6A2
SCHEMBL21661052 0.84 KDM4E (0.40) KMT2AGAALMNAHTTSLC6A2
SCHEMBL21645266 0.84 KDM4E (0.40) KMT2AGAALMNAHTTSLC6A2
SCHEMBL19000120 0.82 KMT2A (0.46) KMT2AMEN1GAAHTTTDP1

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-2020025517-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-02-06 WO disclosed