SCHEMBL8607647

SCHEMBL8607647

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 6/20 0.38
TMPRSS4 Q9NRS4 5/20 0.38
P2RX4 Q99571 3/20 0.38
P2RX7 Q99572 3/20 0.38
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 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
GRIK1 P39086 1/20 0.34
TLR8 Q9NR97 1/20 0.34
GAA P10253 1/20 0.32
RAPGEF3 O95398 3/20 0.32
RAPGEF4 Q8WZA2 2/20 0.31
DDR1 Q08345 1/20 0.31

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
SCHEMBL9412822 0.73 P2RX1 (0.38) P2RX1TMPRSS4P2RX4P2RX7MEN1
SCHEMBL8606563 0.72 P2RX1 (0.35) P2RX1TMPRSS4P2RX4P2RX7CYP11B1
SCHEMBL3028484 0.65 CES2 (0.46) MEN1KMT2AGAADDR1
SCHEMBL8608917 0.65 KMT2A (0.49) MEN1KMT2AKDR
SCHEMBL28095379 0.65 CES2 (0.49) MEN1KMT2AGRIK1GAADDR1
SCHEMBL8490842 0.65 CYP2C19 (0.42) GAADDR1
SCHEMBL10334495 0.64 SMN1; SMN2 (0.57) MEN1KMT2AGRIK1
SCHEMBL8607500 0.64 SMN1; SMN2 (0.42) MEN1KMT2AKDR
SCHEMBL8017606 0.64 MAOB (0.42) MEN1KMT2AKDR
SCHEMBL6751351 0.64 CES2 (0.47) GAADDR1

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
US-5804532-A REACTING A BENZOYL ISOXAZOLE WITH A BASE RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-09-08 US disclosed