SCHEMBL9115069

SCHEMBL9115069

O=C(c1cnoc1C1CC1)c1ccc(Cl)c(Br)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE2A O00408 1/20 0.32
EPHX2 P34913 1/20 0.32
STAT3 P40763 1/20 0.31
STAT1 P42224 1/20 0.31
NAALAD2 Q9Y3Q0 1/20 0.31
NAMPT P43490 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 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
SCHEMBL9115372 0.91 DHODH (0.38) DHODHMEN1KMT2APDE2AEPHX2
SCHEMBL8491541 0.88 DHODH (0.41) DHODHMEN1KMT2APDE2AEPHX2
SCHEMBL9114224 0.86 DHODH (0.40) DHODHMEN1KMT2APDE2AEPHX2
SCHEMBL9116308 0.83 DHODH (0.33) DHODHMEN1KMT2APDE2ANAMPT
SCHEMBL8492226 0.83 HTT (0.39) DHODHMEN1KMT2APDE2AALDH1A1
SCHEMBL9116142 0.82 DHODH (0.39) DHODHMEN1KMT2APDE2AEPHX2
SCHEMBL7576312 0.82 DHODH (0.32) DHODHMEN1KMT2APDE2A
SCHEMBL9113731 0.82 P2RX7 (0.47) DHODHSTAT3STAT1TAS1R3TAS1R1
SCHEMBL8491520 0.81 DHODH (0.46) DHODHMEN1KMT2APDE2AEPHX2
SCHEMBL8493697 0.81 DHODH (0.35) DHODHMEN1KMT2APDE2ASTAT3

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