SCHEMBL13659832

SCHEMBL13659832

CCCSCC(N)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 5/20 0.44
▸ NOS1 P29475 3/20 0.44
▸ NOS3 P29474 2/20 0.44
▸ ARG1 P05089 1/20 0.41
▸ ARG2 P78540 1/20 0.41
▸ METAP2 P50579 8/20 0.40
▸ METAP1 P53582 6/20 0.40
▸ TDP1 Q9NUW8 1/20 0.38
▸ BHMT Q93088 1/20 0.32
▸ BHMT2 Q9H2M3 1/20 0.32
▸ CES2 O00748 1/20 0.32

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
SCHEMBL8024940 0.83 NOS2 (0.44) NOS2NOS1NOS3ARG1ARG2
SCHEMBL8084363 0.83 ARG1 (0.60) NOS2NOS1NOS3ARG1ARG2
SCHEMBL1157633 0.83 ARG1 (0.60) NOS2NOS1NOS3ARG1ARG2
SCHEMBL1157636 0.83 ARG1 (0.60) NOS2NOS1NOS3ARG1ARG2
SCHEMBL16572561 0.82 — —
SCHEMBL25788608 0.82 — —
SCHEMBL28472089 0.81 ARG1 (0.58) NOS2NOS1NOS3ARG1ARG2
SCHEMBL19618273 0.81 NOS2 (0.36) NOS2NOS1NOS3TDP1
SCHEMBL8024937 0.81 ARG1 (0.40) NOS2NOS1NOS3ARG1ARG2
SCHEMBL18822659 0.79 METAP2 (0.41) NOS2NOS1NOS3ARG1ARG2

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-8373063-B2 Quantum dot solar cell HONEYWELL INTERNATIONAL INC. (US) 2013-02-12 — — US disclosed
US-20090260682-A1 QUANTUM DOT SOLAR CELL HONEYWELL INTERNATIONAL INC. (US) 2009-10-22 — — US disclosed
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