SCHEMBL9639345

SCHEMBL9639345

CCCOc1ccc(-n2nc3ccc(Cl)cc3n2)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.42
MAPT P10636 2/20 0.41
LTA4H P09960 1/20 0.38
MDM2 Q00987 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PDE2A O00408 7/20 0.36
NPC1 O15118 3/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL17940503 0.95 PDE2A (0.41) DHODHMAPTLTA4HMEN1KMT2A
SCHEMBL29492032 0.95 PDE2A (0.41) DHODHMAPTLTA4HMEN1KMT2A
SCHEMBL29492068 0.92 NR5A1 (0.45) LTA4HPDE2A
SCHEMBL9747646 0.92 NR5A1 (0.45) LTA4HPDE2A
SCHEMBL13370107 0.92 NR5A1 (0.45) LTA4HPDE2A
SCHEMBL7787935 0.92 NR5A1 (0.45) LTA4HPDE2A
SCHEMBL29492091 0.90 KMT2A (0.46) MAPTMEN1KMT2ANPC1PKM
SCHEMBL9639272 0.90 KMT2A (0.46) MAPTMEN1KMT2ANPC1PKM
SCHEMBL8914751 0.89 KMT2A (0.37) DHODHMAPTMEN1KMT2APDE2A
SCHEMBL21145629 0.86 NPC1 (0.46) MAPTLTA4HMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0208211-B1 WATER-INSOLUBLE DISPERSE DYE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-09-02 EP disclosed
EP-0164223-B1 METHOD FOR DYEING POLYESTER FIBER MATERIALS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-12-05 EP disclosed
US-4690686-A HEAT RESISTANCE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-09-01 US disclosed
EP-0208211-A2 Water-insoluble disperse dye composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-01-14 EP disclosed
US-4626257-A Method for dyeing polyester fiber materials: disperse dye combinations with compensated color fading SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-12-02 US disclosed
EP-0164223-A2 Method for dyeing polyester fiber materials SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-12-11 EP disclosed