SCHEMBL9114971

SCHEMBL9114971

O=C(c1cc(Cl)c(Cl)cc1Cl)c1cnoc1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.39
PDE2A O00408 1/20 0.35
EPHX2 P34913 2/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
STAT3 P40763 1/20 0.32
STAT1 P42224 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 2/20 0.32
NAMPT P43490 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
CRACR2A Q9BSW2 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
SCHEMBL27513121 0.87 DHODH (0.46) DHODHPDE2AEPHX2NAALAD2LMNA
SCHEMBL8491973 0.84 DHODH (0.34) DHODHPDE2AEPHX2NAALAD2
SCHEMBL8489359 0.84 SMN1; SMN2 (0.43) DHODHMEN1KMT2ALMNAHPGD
SCHEMBL9116187 0.82 DHODH (0.38) DHODHPDE2AEPHX2NAALAD2MEN1
SCHEMBL8492226 0.82 HTT (0.39) DHODHPDE2AMEN1KMT2ALMNA
SCHEMBL8489371 0.82 HPGD (0.50) DHODHMEN1KMT2ALMNAHPGD
SCHEMBL8491541 0.81 DHODH (0.41) DHODHPDE2AEPHX2NAALAD2MEN1
SCHEMBL9115781 0.81 SRD5A2 (0.43) DHODHLMNAHPGDTAS1R3TAS1R2
SCHEMBL9113731 0.80 P2RX7 (0.47) DHODHSTAT3STAT1TAS1R3TAS1R1
SCHEMBL8495024 0.80 DHODH (0.52) DHODHMEN1KMT2ALMNA

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-1995022904-A1 PESTICIDAL METHOD RHONE POULENC AGROCHIMIE (FR) 1995-08-31 WO disclosed