SCHEMBL19987549

SCHEMBL19987549

Cc1cc(-c2nn(C)c(O)c2C)ccc1OCc1ccccc1-n1nnn(C)c1=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.35
MRGPRX4 Q96LA9 2/20 0.35
CD274 Q9NZQ7 6/20 0.34
S1PR1 P21453 1/20 0.32
S1PR5 Q9H228 1/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
FFAR4 Q5NUL3 2/20 0.32
FFAR1 O14842 1/20 0.32
P2RX3 P56373 1/20 0.32
PSD A5PKW4 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL18831221 0.89 MRGPRX4 (0.33) HPGDMRGPRX4CD274P2RX3PSD
SCHEMBL16273684 0.89 MRGPRX4 (0.38) HPGDMRGPRX4CD274S1PR1S1PR5
SCHEMBL17600282 0.88 KDM4E (0.34) HPGDMRGPRX4CD274MMP1MMP9
SCHEMBL16273737 0.88 HPGD (0.36) HPGDMRGPRX4CD274P2RX3PSD
SCHEMBL16273642 0.88 HPGD (0.35) HPGDMRGPRX4CD274MMP1MMP9
SCHEMBL16273667 0.88 MRGPRX4 (0.35) HPGDMRGPRX4CD274S1PR1S1PR5
SCHEMBL16273688 0.88 MRGPRX4 (0.35) HPGDMRGPRX4CD274S1PR1S1PR5
SCHEMBL16273616 0.86 PRKDC (0.34) HPGDMRGPRX4CD274FFAR4KDM4E
SCHEMBL16273679 0.86 HPGD (0.36) HPGDMRGPRX4CD274P2RX3PSD
SCHEMBL16273664 0.86 HPGD (0.36) HPGDMRGPRX4CD274P2RX3PSD

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