SCHEMBL19987586

SCHEMBL19987586

Cc1cc(O)c(F)cc1OCc1ccccc1N(N)C(=O)NN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.38
MCL1 Q07820 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
FFAR4 Q5NUL3 4/20 0.34
FFAR1 O14842 3/20 0.34
PARP10 Q53GL7 2/20 0.34
PARP15 Q460N3 1/20 0.34
PARP14 Q460N5 1/20 0.34
ALDH1A1 P00352 3/20 0.32
SLC1A5 Q15758 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPK1 P28482 1/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ESR1 P03372 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL19987563 0.82 MRGPRX4 (0.44) MRGPRX4FFAR4FFAR1ALDH1A1L3MBTL1
SCHEMBL19987532 0.82 FFAR1 (0.33) MRGPRX4FFAR4FFAR1ALDH1A1L3MBTL1
SCHEMBL19987564 0.82 MRGPRX4 (0.35) MRGPRX4FFAR4ALDH1A1SLC1A5L3MBTL1
SCHEMBL21317985 0.82 FFAR1 (0.34) FFAR4FFAR1PARP10PARP15PARP14
SCHEMBL19987543 0.80 MAOB (0.43) FFAR4FFAR1ALDH1A1L3MBTL1MAPT
SCHEMBL19987565 0.78 ELANE (0.35) ALDH1A1SLC1A5L3MBTL1MAPTKDM4E
SCHEMBL19987600 0.76 MRGPRX4 (0.44) MRGPRX4FFAR4ALDH1A1MAPTTP53
SCHEMBL16273712 0.75 MRGPRX4 (0.40) MRGPRX4MCL1PTGDR2FFAR4FFAR1
SCHEMBL16273651 0.75 MRGPRX4 (0.53) MRGPRX4MCL1PTGDR2ALDH1A1TP53
SCHEMBL18831667 0.74 MAPT (0.37) MRGPRX4FFAR4ALDH1A1MAPTLMNA

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