SCHEMBL19969057

SCHEMBL19969057

CCCCc1nnc(C(C)(C)CC)o1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
DDX3X O00571 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
SCHEMBL12511127 0.77 DPP4 (0.34) TSHR
SCHEMBL15492729 0.71 MAPT (0.43) MAPTMEN1KMT2ALMNATSHR
SCHEMBL21233435 0.71 DPP4 (0.32)
SCHEMBL1063939 0.71 MAPT (0.52) MAPTMEN1KMT2ALMNATSHR
SCHEMBL12597236 0.70 MAPT (0.42) MAPTMEN1KMT2ALMNATSHR
SCHEMBL12989301 0.68 MAPT (0.41) MAPTMEN1KMT2ALMNATSHR
SCHEMBL11682358 0.68 MAPT (0.41) MAPTMEN1KMT2ALMNATSHR
SCHEMBL11770857 0.68 MAPT (0.41) MAPTMEN1KMT2ALMNATSHR
SCHEMBL27634745 0.68 MAPT (0.41) MAPTMEN1KMT2ALMNATSHR
SCHEMBL22350258 0.66 MAPT (0.43) MAPTMEN1KMT2ALMNATSHR

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-2018047139-A1 COMPOUNDS AS MODULATORS OF TIGIT SIGNALLING PATHWAY AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-15 WO disclosed