SCHEMBL7971616

SCHEMBL7971616

O=S(=O)(c1cncc(Cl)c1)c1c(F)cccc1F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.40
NAMPT P43490 1/20 0.39
NFE2L2 Q16236 2/20 0.38
ACLY P53396 1/20 0.37
PKM P14618 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
FFAR2 O15552 1/20 0.36
CNR1 P21554 1/20 0.36
KAT6A Q92794 2/20 0.35
HTR6 P50406 1/20 0.35
PKLR P30613 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
SCHEMBL7974709 0.77 NAMPT (0.45) GRM5NAMPTNFE2L2HTR6
SCHEMBL7971906 0.76 HTR6 (0.52) NAMPTACLYPKMFFAR2HTR6
SCHEMBL7974641 0.74 ALDH1A1 (0.61) NAMPTPKMHTR6
SCHEMBL7969060 0.70 GAA (0.55) NAMPTHTR6
SCHEMBL7958556 0.70 NAMPT (0.45) NAMPTHTR6
SCHEMBL1828079 0.69 HCAR2 (0.42) NAMPTACLYHTR6
SCHEMBL7974619 0.69 AKR1B1 (0.47) NAMPT
SCHEMBL7958946 0.69 KMT2A (0.59)
SCHEMBL31097440 0.67 PTGS2 (0.48) ACLYPTGDR2
SCHEMBL12417957 0.67 PTGS2 (0.48) ACLYPTGDR2

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-2001017965-A2 CYANOPIPERIDINES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-03-15 WO disclosed