SCHEMBL9412822

SCHEMBL9412822

CSc1cc(Cl)ccc1C(=O)C(C#N)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 5/20 0.38
TMPRSS4 Q9NRS4 3/20 0.38
P2RX4 Q99571 2/20 0.38
P2RX7 Q99572 2/20 0.38
RAPGEF3 O95398 3/20 0.37
RAPGEF4 Q8WZA2 2/20 0.37
RHOC P08134 4/20 0.37
RHOA P61586 4/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
MYLK Q15746 1/20 0.36
MAP4K5 Q9Y4K4 1/20 0.36
CLPP Q16740 1/20 0.35
DDR1 Q08345 2/20 0.35
TRPA1 O75762 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
SCHEMBL30252221 0.78 CES2 (0.53) P2RX1RAPGEF3RAPGEF4
SCHEMBL8606563 0.74 P2RX1 (0.35) P2RX1TMPRSS4P2RX4P2RX7RHOC
SCHEMBL8607103 0.74 CTSK (0.35) MEN1KMT2ATRPA1
SCHEMBL8607647 0.73 P2RX1 (0.38) P2RX1TMPRSS4P2RX4P2RX7RAPGEF3
SCHEMBL29115377 0.70 CES2 (0.44) P2RX1RAPGEF3RAPGEF4
SCHEMBL4307602 0.66 CES2 (0.50) RAPGEF3RAPGEF4
SCHEMBL9819107 0.66 GRIK1 (0.50) P2RX1TMPRSS4P2RX4P2RX7RAPGEF3
SCHEMBL9819124 0.65 GRIK1 (0.52) P2RX1TMPRSS4P2RX4P2RX7MEN1
SCHEMBL8608917 0.65 KMT2A (0.49) MEN1KMT2AKDR
SCHEMBL10334495 0.64 SMN1; SMN2 (0.57) MEN1KMT2A

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-0625505-A2 2-Cyano-1,3-dione derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1994-11-23 EP disclosed