SCHEMBL19741365

SCHEMBL19741365

CCCCNC(=[Se])N(C(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
EPHX1 P07099 6/20 0.38
ACHE P22303 3/20 0.35
MMP2 P08253 1/20 0.35
DPP7 Q9UHL4 2/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
ALOX15 P16050 1/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33

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
SCHEMBL19741362 0.76 ACHE (0.37) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL17956763 0.76 GRIN2D (0.42) MEN1KMT2AHTTGRIN2DGRIN3B
SCHEMBL9474824 0.75 EPHX1 (0.47) MEN1KMT2AHTTEPHX1ACHE
SCHEMBL19741324 0.74 ACHE (0.42) MEN1KMT2AHTTGRIN2DGRIN3B
SCHEMBL17956780 0.72 ACHE (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17956760 0.72 ACHE (0.41) MEN1KMT2AHTTGRIN2DGRIN3B
SCHEMBL17956814 0.71 GRIN2D (0.38) MEN1KMT2AHTTGRIN2DGRIN3B
SCHEMBL8172017 0.70
SCHEMBL4373918 0.69 EPHX1 (0.52) EPHX1DPP7
SCHEMBL9466491 0.69 EPHX1 (0.48) MEN1KMT2AHTTGRIN2DGRIN3B

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-10767112-B2 Methods of producing metal sulfides, metal selenides, and metal sulfides/selenides having controlled architectures using kinetic control THE TRUSTEES OF THE COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-09-08 US disclosed
US-20170369779-A1 METHODS OF PRODUCING METAL SULFIDES, METAL SELENIDES, AND METAL SULFIDES/SELENIDES HAVING CONTROLLED ARCHITECTURES USING KINETIC CONTROL THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-12-28 US disclosed