SCHEMBL8065762

SCHEMBL8065762

COC(=O)COc1cc(N)cc(N)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
PTGS2 P35354 2/20 0.45
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL8999717 0.96 LMNA (0.47) LMNAPTGS2ALDH1A1KDM4EHSD17B10
SCHEMBL8999630 0.90 HSP90AB1 (0.43) LMNAPTGS2ALDH1A1KDM4EHSD17B10
SCHEMBL14356222 0.82 KMT2A (0.53) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL217079 0.82 CYP3A4 (0.56) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL223169 0.81 PTGS2 (0.57) LMNAPTGS2ALDH1A1MEN1KMT2A
SCHEMBL3927973 0.80 GAA (0.53) LMNAPTGS2ALDH1A1KDM4EKMT2A
Hydrochloric Acid SCHEMBL7327250 0.79 PTGS2 (0.55) LMNAPTGS2ALDH1A1MEN1KMT2A
SCHEMBL9205800 0.78 HSP90AB1 (0.50) LMNAPTGS2ALDH1A1KDM4EHSD17B10
SCHEMBL3914534 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL3924075 0.78 ALOX15 (0.54) LMNAALDH1A1HSD17B10MEN1KMT2A

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
US-6072046-A SELECTIVELY FORM TRIPLEXES WITH A COMPLEMENTARY TARGET SEQUENCE IN DOUBLE-STRANDED DNA AND EFFICIENTLY CROSSLINK WITH BOTH STRANDS; THERAPEUTICS, DIAGNOSTICS, AND GENETIC PROBES EPOCH PHARMACEUTICALS, INC. (US) 2000-06-06 US disclosed
WO-2000012523-A1 DIAZIRIDINYL-ARYL AND BIS-[DI(CHLOROETHYL)AMINO]-ARYL OLIGONUCLEOTIDE CONJUGATES AND REAGENTS FOR MAKING THE SAME EPOCH PHARMACEUTICALS, INC. (US) 2000-03-09 WO disclosed