SCHEMBL9117352

SCHEMBL9117352

O=C(c1cnoc1C1CC1)c1cccc(Br)c1COCC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.38
LMNA P02545 1/20 0.35
KIT P10721 1/20 0.33
EPHX2 P34913 2/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
NR1H4 Q96RI1 8/20 0.32
CNR2 P34972 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HCRTR2 O43614 1/20 0.32
HSD17B13 Q7Z5P4 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
SCHEMBL8887472 0.80 DHODH (0.38) DHODHLMNAKITEPHX2MEN1
SCHEMBL7574755 0.79 DHODH (0.33) DHODHNR1H4
SCHEMBL7574654 0.79 DHODH (0.33) DHODHLMNAALDH1A1
SCHEMBL8815055 0.78 TAS1R3 (0.34) DHODHLMNANR1H4
SCHEMBL7575170 0.78 PDE2A (0.33) DHODHEPHX2
SCHEMBL27293226 0.78 DHODH (0.33) DHODH
SCHEMBL9115261 0.77 DHODH (0.36) DHODHKITMEN1KMT2ANR1H4
SCHEMBL9117433 0.77 DHODH (0.46) DHODHLMNAKITEPHX2MEN1
SCHEMBL9117003 0.76 DHODH (0.34) DHODHKITEPHX2NR1H4CNR2
SCHEMBL9115908 0.76 DHODH (0.34) DHODHKITEPHX2MEN1ALDH1A1

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