SCHEMBL9115702

SCHEMBL9115702

CSc1c(Cl)ccc(C(=O)c2cnoc2C2CC2)c1OCC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.36
CNR2 P34972 13/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
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
NR1H4 Q96RI1 1/20 0.32
HCRTR2 O43614 1/20 0.32
CRHR1 P34998 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 0.87 DHODH (0.38) DHODHCNR2MEN1KMT2AHCRTR2
SCHEMBL8729861 0.86 PDE4B (0.34) DHODHMEN1KMT2ANR1H4
SCHEMBL8752740 0.84 DHODH (0.39) DHODHMEN1KMT2ANR1H4CRHR1
SCHEMBL9114754 0.83 DHODH (0.35) DHODHCNR2MEN1KMT2AAPP
SCHEMBL9115261 0.83 DHODH (0.36) DHODHCNR2MEN1KMT2AAPP
SCHEMBL9116657 0.83 DHODH (0.40) DHODHMEN1KMT2ANR1H4CRHR1
SCHEMBL8752743 0.82 DHODH (0.36) DHODHMEN1KMT2A
SCHEMBL8886577 0.82 DHODH (0.35) DHODHCNR2MEN1KMT2A
SCHEMBL8495847 0.81 PDE4B (0.35) DHODHMEN1KMT2ANR1H4
SCHEMBL9114577 0.80 DHODH (0.33) DHODHMEN1KMT2A

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