SCHEMBL9833884

SCHEMBL9833884

O=C(c1ccccc1)N(Cl)c1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.52
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 5/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM3 P20309 1/20 0.47
ESR1 P03372 3/20 0.45
ESR2 Q92731 3/20 0.45
CYP3A4 P08684 1/20 0.42
HSPD1 P10809 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
HSPE1 P61604 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL8979288 0.87 L3MBTL1 (0.52) CES2ALDH1A1RAB9AKMT2ALMNA
SCHEMBL2113020 0.82 ESR1 (0.64) CES2ALDH1A1RAB9AKMT2ALMNA
SCHEMBL2113010 0.80 ESR1 (0.64) CES2ALDH1A1RAB9AKMT2ALMNA
SCHEMBL28377066 0.79 CA2 (0.42) CES2ALDH1A1RAB9AKMT2ALMNA
SCHEMBL27558517 0.78 RAB9A (0.41) CES2ALDH1A1RAB9AKMT2ALMNA
SCHEMBL8057617 0.78 CES2 (0.50) CES2ALDH1A1RAB9AKMT2ALMNA
SCHEMBL11168544 0.77 CES1 (0.63) CES1
SCHEMBL2113060 0.76 ESR1 (0.69) CES2ALDH1A1RAB9AKMT2ALMNA
SCHEMBL11416543 0.74 RAB9A (0.41) ALDH1A1RAB9AKMT2ALMNAMEN1
SCHEMBL3661402 0.74 ALDH1A1 (0.60) CES2ALDH1A1RAB9AKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0217149-B1 POLY(2,2,6,6-TETRAMETHYLPIPERIDYLAMINOSPIROGLYCOLETHER-1,3,5-TRIAZINES) ADEKA ARGUS CHEMICAL CO., Ltd. (JP) 1991-01-30 EP disclosed
EP-0409313-A2 Poly carbonates endowed with high-fluidity characteristics and process for preparing them ENICHEM S.p.A. (IT) 1991-01-23 EP disclosed
EP-0095031-A2 N,N,N-tris(2,2,6,6,-tetramethyl-4-piperidone ketal)-1,3,5-triazines and synthetic resin compositions ADEKA ARGUS CHEMICAL CO., Ltd. (JP) 1983-11-30 EP disclosed