SCHEMBL21662396

SCHEMBL21662396

COc1ccc(C(OC[C@@H]2C[C@@H](OP(OCCC#N)N(C(C)C)C(C)C)CN2C(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 7/20 0.36
SLC6A1 P30531 3/20 0.36
SLC6A12 P48065 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A13 Q9NSD5 1/20 0.33
KIF11 P52732 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
SCHEMBL2997021 0.95 SLC6A11 (0.37) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL16299839 0.90 SLC6A11 (0.35) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL26302696 0.89 SLC6A11 (0.33) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL11992564 0.88 SLC6A1 (0.33) SLC6A11SLC6A1
SCHEMBL11992573 0.87 SLC6A11 (0.34) SLC6A11SLC6A1SLC6A12MEN1TP53
SCHEMBL16938709 0.86 SLC6A1 (0.32) SLC6A11SLC6A1
SCHEMBL8983299 0.86 SLC6A1 (0.31) SLC6A11SLC6A1
SCHEMBL11992545 0.85 ALDH1A1 (0.34) SLC6A11SLC6A1MEN1CYP1A2CYP3A4
SCHEMBL12209383 0.85 ALDH1A1 (0.34) SLC6A11SLC6A1MEN1CYP1A2CYP3A4
SCHEMBL12248503 0.85 SLC6A1 (0.31) SLC6A11SLC6A1

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-10975423-B2 Methods for true isothermal strand displacement amplification ELITECHGROUP, INC. (US) 2021-04-13 US disclosed
US-20200040387-A1 METHODS FOR TRUE ISOTHERMAL STRAND DISPLACEMENT AMPLIFICATION ELITECHGROUP, INC. (US) 2020-02-06 US disclosed