SCHEMBL7982244

SCHEMBL7982244

Clc1ccc(NCCCCOc2c(Cl)cc(OCC=C(Br)Br)cc2Cl)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOC P08134 2/20 0.33
RHOA P61586 2/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
GAA P10253 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ABL1 P00519 1/20 0.32
PNLIP P16233 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
DRD4 P21917 2/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
PYGL P06737 1/20 0.31
KDM4E B2RXH2 2/20 0.31
PPARG P37231 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
SCHEMBL7976324 0.89 RHOC (0.35) RHOCRHOAKDM4ESIGMAR1
SCHEMBL7965825 0.85 RHOC (0.35) RHOCRHOAPPARGSIGMAR1
SCHEMBL7965701 0.83 HTT (0.37) RHOCRHOAFNTAFNTBGAA
SCHEMBL7982246 0.82 NPC1 (0.44) RHOCRHOAMEN1KMT2ACYP1A2
SCHEMBL7977787 0.81 HTT (0.40) RHOCRHOAFNTAFNTBGAA
SCHEMBL8656345 0.80 PLAU (0.39) MEN1KMT2ACYP1A2CYP2D6CYP3A4
SCHEMBL8408646 0.80 PLAU (0.33) MEN1KMT2ACYP1A2CYP2D6CYP3A4
SCHEMBL7979272 0.80 HTT (0.38) RHOCRHOAFNTAFNTBGAA
SCHEMBL8051031 0.79 NPC1 (0.47) RHOCRHOAMEN1KMT2ACYP1A2
SCHEMBL7965926 0.79 HTT (0.39) FNTAFNTBGAAMEN1KMT2A

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
US-6214835-B1 CONTROLLING INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-04-10 US disclosed