SCHEMBL3261623

SCHEMBL3261623

Cn1c(C(F)(F)CF)cc(=O)n(-c2cc(Oc3ccccc3OCc3ccccc3)c([N+](=O)[O-])cc2F)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.35
CTSL P07711 2/20 0.35
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
ABCB1 P08183 1/20 0.35
POLB P06746 2/20 0.35
PTGES O14684 2/20 0.33
BCAT1 P54687 1/20 0.33
CYP19A1 P11511 2/20 0.32
SGMS2 Q8NHU3 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HSPB1 P04792 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 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
SCHEMBL1527273 0.93 HTR1A (0.37) CTSVCTSLHTR1AADRA1DADRA1A
SCHEMBL3261624 0.86 HTR1A (0.36) CTSVCTSLHTR1AADRA1DADRA1A
SCHEMBL6638566 0.84 CYP11B1 (0.35) CTSVCTSLHTR1AADRA1DADRA1A
SCHEMBL7228060 0.84 MEN1 (0.42) CTSVCTSLPTGESBCAT1MAPT
SCHEMBL7234402 0.82 TRIM24 (0.40) CTSVCTSLPTGESBCAT1MAPT
SCHEMBL3248247 0.82 ALDH1A1 (0.37) POLBBCAT1MAPTMEN1KMT2A
SCHEMBL27044946 0.80 ALDH1A1 (0.37) POLBBCAT1MAPTMEN1KMT2A
SCHEMBL14639555 0.80 BCAT1 (0.36) BCAT1MAPTMEN1KMT2AHSPB1
SCHEMBL30839877 0.80 L3MBTL1 (0.45) POLBBCAT1MAPTMEN1KMT2A
SCHEMBL30839879 0.80 L3MBTL1 (0.45) POLBBCAT1MAPTMEN1KMT2A

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
EP-1736052-B1 Stem/leaf desiccant SUMITOMO CHEMICAL CO (JP) 2010-04-21 EP disclosed
EP-1736052-A2 Stem/leaf desiccant Sumitomo Chemical Company, Limited (JP) 2006-12-27 EP disclosed