SCHEMBL9115261

SCHEMBL9115261

O=C(c1cnoc1C1CC1)c1ccc(Cl)c(COCC(F)(F)F)c1OCC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.36
CNR2 P34972 3/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NR1H4 Q96RI1 11/20 0.33
APP P05067 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
KIT P10721 1/20 0.32

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
SCHEMBL9115709 0.85 DHODH (0.38) DHODHCNR2MEN1KMT2A
SCHEMBL9115702 0.83 DHODH (0.36) DHODHCNR2MEN1KMT2ANR1H4
SCHEMBL9114754 0.81 DHODH (0.35) DHODHCNR2MEN1KMT2ANR1H4
SCHEMBL8886577 0.80 DHODH (0.35) DHODHCNR2MEN1KMT2A
SCHEMBL9115295 0.79 PDE4D (0.35) DHODHNR1H4
SCHEMBL9115908 0.78 DHODH (0.34) DHODHMEN1KMT2ANR1H4KIT
SCHEMBL9115170 0.78 ALDH1A1 (0.42) DHODHCNR2
SCHEMBL9117352 0.77 DHODH (0.38) DHODHCNR2MEN1KMT2ANR1H4
SCHEMBL9117433 0.77 DHODH (0.46) DHODHMEN1KMT2AKIT
SCHEMBL8887472 0.76 DHODH (0.38) DHODHCNR2MEN1KMT2AKIT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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