SCHEMBL19987567

SCHEMBL19987567

Cc1c(OCc2ccccc2OC#N)ccc(O)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.37
HTR6 P50406 1/20 0.36
MAPT P10636 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
PKM P14618 2/20 0.34
MRGPRX4 Q96LA9 2/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ESR1 P03372 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
ALOX12 P18054 1/20 0.34
BLM P54132 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL16273703 0.79 MRGPRX4 (0.37) MCL1HTR6MAPTL3MBTL1TDP1
SCHEMBL19987568 0.77 PTGDR2 (0.41) MCL1MAPTMAPK1KMT2AALDH1A1
SCHEMBL16273652 0.75 TP53 (0.53) MCL1MAPTL3MBTL1TDP1ALDH1A1
SCHEMBL16273612 0.75 CYP3A4 (0.39) HTR6MAPTL3MBTL1TDP1MEN1
SCHEMBL19987538 0.74 PTGDR2 (0.41) MCL1MAPTL3MBTL1TDP1MEN1
SCHEMBL19987555 0.73 PTGDR2 (0.46) MCL1MAPTMRGPRX4PTGDR2KDM4E
SCHEMBL16273625 0.73 MAOB (0.49) MAPTL3MBTL1MAPK1KMT2AALDH1A1
SCHEMBL11565580 0.69 IDO1 (0.38) MCL1ALDH1A1PKMABCB1
SCHEMBL19987564 0.69 MRGPRX4 (0.35) HTR6MAPTL3MBTL1TDP1MEN1
SCHEMBL16273753 0.68 HTR6 (0.35) HTR6MAPTL3MBTL1TDP1MEN1

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
EP-3006440-B1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME SUMITOMO CHEMICAL CO (JP) 2018-03-21 EP disclosed