SCHEMBL18831723

SCHEMBL18831723

CCCOc1c(C)c(-c2ccc(OCc3c(C)cccc3-n3nnn(C)c3=O)c(C)c2)nn1C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
HPGD P15428 2/20 0.34
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL16911845 0.94 MEN1 (0.34) MAPTHPGDTP53POLBMRGPRX4
SCHEMBL16627886 0.91 TP53 (0.34) HPGDTP53MRGPRX4KDM4EMEN1
SCHEMBL16273664 0.89 HPGD (0.36) MAPTHPGDTP53POLBMRGPRX4
SCHEMBL16911603 0.88
SCHEMBL16920732 0.88 TP53 (0.30) TP53RXFP1
SCHEMBL16627180 0.88 MRGPRX4 (0.33) MAPTHPGDTP53MRGPRX4KDM4E
SCHEMBL16910792 0.87 NR1H4 (0.31) MRGPRX4
SCHEMBL16911168 0.87 MEN1 (0.33) MAPTHPGDPOLBMRGPRX4KDM4E
SCHEMBL16911689 0.86 PTGER1 (0.34) MAPTHPGDPOLBMRGPRX4KDM4E
SCHEMBL16911210 0.86 MEN1 (0.33) MAPTHPGDPOLBMRGPRX4KDM4E

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-2900655-B1 TETRAZOLINONE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2017-05-10 EP disclosed