SCHEMBL6017573

SCHEMBL6017573

CC(C)(C)CC(C)(C)Nc1cc(Cl)nc(Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.36
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATF1 P18846 1/20 0.33
NFKB1 P19838 1/20 0.33
LATS1 O95835 1/20 0.31
LATS2 Q9NRM7 1/20 0.31
PDE4A P27815 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 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
SCHEMBL29632626 0.85 KMT2A (0.37) ESR1LMNASMN1; SMN2LATS1LATS2
SCHEMBL20355007 0.85 KMT2A (0.37) ESR1LMNASMN1; SMN2LATS1LATS2
SCHEMBL15907428 0.84 PDE4A (0.38) ESR1LMNASMN1; SMN2ATF1NFKB1
SCHEMBL15901878 0.83 NPSR1 (0.37) ESR1LMNASMN1; SMN2ATF1NFKB1
SCHEMBL3232859 0.80 SMN1; SMN2 (0.48) ESR1LMNASMN1; SMN2ATF1NFKB1
SCHEMBL23412783 0.79 KMO (0.38) ESR1LMNA
SCHEMBL20340250 0.76 SYK (0.39) LMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL9084398 0.75 ESR1 (0.46) ESR1SMN1; SMN2ATF1NFKB1CYP2C19
SCHEMBL15901038 0.74 ATF1 (0.32) ESR1ATF1NFKB1
SCHEMBL23412928 0.72 POLB (0.44) LMNASMN1; SMN2NFKB1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727858-A1 COUPLING AGENTS BETWEEN FILLER AND ELASTOMER Ciba Specialty Chemicals Holding Inc. (CH) 2006-12-06 EP disclosed
EP-1680463-A2 STABILIZER COMPOSITIONS FOR HALOGEN CONTAINING POLYMERS Ciba SC Holding AG (CH) 2006-07-19 EP disclosed
EP-1680458-A2 ROMP WITH FLUORINATED GROUPS Ciba SC Holding AG (CH) 2006-07-19 EP disclosed
WO-2005059022-A1 COUPLING AGENTS BETWEEN FILLER AND ELASTOMER CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-06-30 WO disclosed
EP-1539873-A2 STABILLIZATION OF ORGANIC MATERIALS Ciba SC Holding AG (CH) 2005-06-15 EP disclosed
WO-2005049715-A2 STABILIZER COMPOSITIONS FOR HALOGEN CONTAINING POLYMERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-06-02 WO disclosed
WO-2005028402-A2 ROMP WITH FLUORINATED GROUPS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-03-31 WO disclosed
WO-2004024810-A2 STABILLIZATION OF ORGANIC MATERIALS CIBA, SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-03-25 WO disclosed