SCHEMBL9116142

SCHEMBL9116142

O=C(c1cnoc1C1CC1)c1ccc(Cl)c(Cl)c1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX2 P34913 2/20 0.36
HPGD P15428 3/20 0.35
PDE2A O00408 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
MAPK14 Q16539 1/20 0.32
CRACR2A Q9BSW2 2/20 0.32
STAT3 P40763 1/20 0.31
STAT1 P42224 1/20 0.31
NAALAD2 Q9Y3Q0 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
MGLL Q99685 1/20 0.31
USP2 O75604 1/20 0.31
P2RX7 Q99572 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
SCHEMBL8491541 0.88 DHODH (0.41) DHODHMEN1KMT2AEPHX2HPGD
SCHEMBL9115372 0.86 DHODH (0.38) DHODHMEN1KMT2AEPHX2HPGD
SCHEMBL9115201 0.85 DHODH (0.38) DHODHMEN1KMT2AEPHX2HPGD
SCHEMBL8489371 0.83 HPGD (0.50) DHODHMEN1KMT2AHPGDP2RX7
SCHEMBL9116210 0.83 TSHR (0.35) DHODHMEN1KMT2AEPHX2PDE2A
SCHEMBL9117324 0.82 DHODH (0.36) DHODHMEN1KMT2AHPGDPDE2A
SCHEMBL8492849 0.82 DHODH (0.36) DHODHMEN1KMT2AEPHX2HPGD
SCHEMBL9115069 0.82 DHODH (0.37) DHODHMEN1KMT2AEPHX2PDE2A
SCHEMBL9113731 0.82 P2RX7 (0.47) DHODHTAS1R3TAS1R1TAS1R2MAPK14
SCHEMBL7572102 0.81 DHODH (0.37) DHODHMEN1KMT2AEPHX2PDE2A

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