SCHEMBL8893368

SCHEMBL8893368

CSc1c(Cc2ccccc2C(=O)c2cnoc2C2CC2)cccc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.36
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
NR1H4 Q96RI1 2/20 0.33
P2RX7 Q99572 7/20 0.33
EPHX2 P34913 1/20 0.32
CCR4 P51679 1/20 0.32
POLQ O75417 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
SCHEMBL8892417 0.88 MEN1 (0.33) DHODH
SCHEMBL8891081 0.88 DHODH (0.41) DHODHSLC6A2SLC6A4NR1H4EPHX2
SCHEMBL8891589 0.87 DHODH (0.35) DHODHSLC6A2SLC6A4NR1H4P2RX7
SCHEMBL8891645 0.84 SLC6A2 (0.36) DHODHSLC6A2SLC6A4EPHX2
SCHEMBL8890050 0.83 NR1H4 (0.34) DHODHSLC6A2SLC6A4NR1H4P2RX7
SCHEMBL8889963 0.83 SLC6A2 (0.34) DHODHSLC6A2SLC6A4NR1H4P2RX7
SCHEMBL8891465 0.83 HPGD (0.39) DHODHSLC6A2SLC6A4
SCHEMBL8891088 0.82 HPGD (0.33) DHODH
SCHEMBL8891126 0.82 DHODH (0.41) DHODHSLC6A2
SCHEMBL8890525 0.81 HPGD (0.39)

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
WO-1997028136-A1 BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-07 WO disclosed