SCHEMBL11059702

SCHEMBL11059702

c1ccc(Nc2nc(C(=C(c3ccccc3)c3nc(Nc4ccccc4)nc(N4CCOCC4)n3)c3ccccc3)nc(N3CCOCC3)n2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.75
HTT P42858 1/20 0.75
POLB P06746 4/20 0.69
KMT2A Q03164 4/20 0.63
MEN1 O00255 2/20 0.63
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA9 Q16790 2/20 0.59
MAPT P10636 3/20 0.58
TP53 P04637 1/20 0.58
PTGS2 P35354 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPSR1 Q6W5P4 2/20 0.55
PIK3CA P42336 1/20 0.54
GAA P10253 1/20 0.53

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
SCHEMBL29345146 0.86 LMNA (0.94) LMNAHTTPOLBKMT2AMEN1
SCHEMBL11810697 0.86 LMNA (1.00) LMNAHTTPOLBKMT2AMEN1
SCHEMBL4623927 0.85 LMNA (0.75) LMNAHTTPOLBKMT2AMEN1
SCHEMBL30033818 0.85 LMNA (0.75) LMNAHTTPOLBKMT2AMEN1
SCHEMBL15613217 0.82 POLB (1.00) LMNAHTTPOLBKMT2AMEN1
SCHEMBL14128251 0.81 LMNA (0.83) LMNAHTTPOLBKMT2AMEN1
SCHEMBL27776226 0.80 LMNA (0.81) LMNAHTTPOLBKMT2AMEN1
SCHEMBL14735802 0.80 LMNA (0.81) LMNAHTTPOLBKMT2AMEN1
SCHEMBL6740369 0.79 LMNA (0.78) LMNAHTTPOLBKMT2AMEN1
SCHEMBL8548722 0.78 CA12 (0.55) LMNAHTTPOLBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4427410-A WASH CYCLE SOFTENING COLGATE-PALMOLIVE COMPANY (US) 1984-01-24 US disclosed
US-4252664-A DETERGENTS, SODIUM CARBONATE AND A REACTIVE ACID COLGATE-PALMOLIVE COMPANY (US) 1981-02-24 US disclosed
US-4167487-A N-BENZOYL-2-METHYL-IMIDAZOLES COLGATE-PALMOLIVE COMPANY (US) 1979-09-11 US disclosed
US-3956156-A PEROXY COMPOUND, 1A OR 2A CITRATE, ACTIVATOR COLGATE-PALMOLIVE COMPANY (US) 1976-05-11 US disclosed
US-3931034-A DETERGENT MATERIALS CONTAINING ENZYMES COLGATE-PALMOLIVE COMPANY (US) 1976-01-06 US disclosed