SCHEMBL9116643

SCHEMBL9116643

Cc1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1[S+](C)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.35
DHODH Q02127 3/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMURF2 Q9HAU4 1/20 0.32
SMURF1 Q9HCE7 1/20 0.32
CRHR1 P34998 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX2 P34913 1/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CRACR2A Q9BSW2 2/20 0.31
MGLL Q99685 2/20 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
SCHEMBL8492663 0.92 PDE2A (0.38) PDE2ADHODHTAS1R3TAS1R1TAS1R2
SCHEMBL27294090 0.88 PDE2A (0.34) PDE2ADHODHTAS1R3TAS1R1TAS1R2
SCHEMBL8492634 0.88 DHODH (0.34) PDE2ADHODHMEN1KMT2AEPHX2
SCHEMBL9115217 0.86 DHODH (0.32) PDE2ADHODHMEN1KMT2AEPHX2
SCHEMBL8752758 0.86 DHODH (0.38) PDE2ADHODHCRHR1MEN1KMT2A
SCHEMBL8491585 0.86 DHODH (0.35) PDE2ADHODHTAS1R3TAS1R1TAS1R2
SCHEMBL9116693 0.86 PDE2A (0.33) PDE2ADHODHMEN1KMT2AEPHX2
SCHEMBL8388508 0.85 PDE2A (0.34) PDE2ADHODHTAS1R3TAS1R1TAS1R2
SCHEMBL8892581 0.85 PTGDR2 (0.34) PDE2ATAS1R3TAS1R1TAS1R2MAPT
SCHEMBL9069516 0.84 PDE2A (0.35) PDE2ADHODHTAS1R3TAS1R1TAS1R2

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-1995022903-A1 NEW PESTICIDAL METHOD RHONE-POULENC AGROCHIMIE (FR) 1995-08-31 WO disclosed