SCHEMBL27532004

SCHEMBL27532004

Cc1c(-c2ncc(Cl)cc2F)nn(C)c1C[SH](=O)=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.33
FPR2 P25090 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
PABPC1 P11940 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE2A O00408 1/20 0.32
TRPM5 Q9NZQ8 1/20 0.32
SMO Q99835 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL7904400 0.74 SMO (0.39) GRM5FPR2PROKR1HPGDHTT
SCHEMBL7688652 0.74 GRM5 (0.38) GRM5FPR2PROKR1HPGDHTT
SCHEMBL7687299 0.73 GRM5 (0.35) GRM5FPR2PROKR1HPGDHTT
SCHEMBL7687213 0.73 HTR5A (0.38) GRM5FPR2PROKR1HPGDHTT
SCHEMBL7690463 0.72 TGFBR1 (0.34) GRM5FPR2PROKR1HPGDHTT
SCHEMBL7687095 0.72 S1PR1 (0.44) LMNAKMT2A
SCHEMBL7910781 0.71 GRM5 (0.39) GRM5FPR2PROKR1MEN1KMT2A
SCHEMBL7907722 0.70 FPR2 (0.33) GRM5FPR2PROKR1HPGDHTT
SCHEMBL7907720 0.69 FPR2 (0.37) GRM5FPR2PROKR1HPGDHTT
SCHEMBL7910810 0.69 KMT2A (0.38) GRM5FPR2PROKR1HPGDHTT

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
CN-1237166-A Pyrazole derivatives useful as herbicides NOVARTIS AG (CH) 1999-12-01 CN disclosed