SCHEMBL19741324

SCHEMBL19741324

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
EPHX1 P07099 5/20 0.40
MMP2 P08253 1/20 0.38
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.35

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
SCHEMBL17956760 0.84 ACHE (0.41) ACHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17956780 0.84 ACHE (0.41) ACHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19741362 0.79 ACHE (0.37) ACHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17956763 0.79 GRIN2D (0.42) ACHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17956782 0.78 GRIN2D (0.39) ACHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19741365 0.74 MEN1 (0.38) ACHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17956814 0.74 GRIN2D (0.38) ACHEGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8172017 0.73
SCHEMBL22400003 0.73 L3MBTL1 (0.42) ACHEEPHX1MMP2MEN1HTT
SCHEMBL5611450 0.73 EPHX1 (0.50) ACHEEPHX1MMP2MEN1HTT

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