SCHEMBL9864039

SCHEMBL9864039

[O]C(Cl)c1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.47
P2RX7 Q99572 1/20 0.47
CNR2 P34972 2/20 0.42
HSD11B1 P28845 3/20 0.40
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NFKB1 P19838 1/20 0.36
CACNA2D1 P54289 1/20 0.35
CACNA1B Q00975 1/20 0.35
CACNB1 Q02641 1/20 0.35
CACNA1C Q13936 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PSMB8 P28062 1/20 0.35

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
SCHEMBL29523337 0.82 ACP3 (0.46) ACP3P2RX7CNR2HSD11B1LMNA
SCHEMBL6564259 0.82 ACP3 (0.46) ACP3P2RX7CNR2HSD11B1LMNA
SCHEMBL10540798 0.80 ACP3 (0.44) ACP3P2RX7CNR2HSD11B1LMNA
SCHEMBL7011754 0.80 ACP3 (0.49) ACP3P2RX7CNR2HSD11B1LMNA
SCHEMBL9003053 0.78 ACP3 (0.43) ACP3P2RX7CNR2HSD11B1LMNA
SCHEMBL1047625 0.78 P2RX7 (0.52) ACP3P2RX7CNR2HSD11B1LMNA
SCHEMBL30705308 0.77 P2RX7 (0.50) ACP3P2RX7CNR2HSD11B1LMNA
SCHEMBL9242031 0.77 P2RX7 (0.50) ACP3P2RX7CNR2HSD11B1LMNA
SCHEMBL15129454 0.77 ACP3 (0.42) ACP3P2RX7CNR2HSD11B1LMNA
SCHEMBL29052941 0.77 ACP3 (0.54) ACP3P2RX7CNR2HSD11B1IDO1

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-0413224-A1 Fungicidal agent containing 1,2-naphthoquinones BASF Aktiengesellschaft (DE) 1991-02-20 EP disclosed