SCHEMBL8024940

SCHEMBL8024940

CCCSCC(N)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 6/20 0.44
▸ NOS1 P29475 4/20 0.44
▸ NOS3 P29474 3/20 0.44
▸ ARG1 P05089 1/20 0.41
▸ ARG2 P78540 1/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ METAP2 P50579 7/20 0.40
▸ METAP1 P53582 5/20 0.40
▸ TDP1 Q9NUW8 1/20 0.38
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 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
SCHEMBL14376615 0.88 EPHX1 (0.52) NOS2NOS1NOS3ARG1ARG2
SCHEMBL1157633 0.83 ARG1 (0.60) NOS2NOS1NOS3ARG1ARG2
SCHEMBL13659832 0.83 NOS2 (0.44) NOS2NOS1NOS3ARG1ARG2
SCHEMBL1157636 0.83 ARG1 (0.60) NOS2NOS1NOS3ARG1ARG2
SCHEMBL8084363 0.83 ARG1 (0.60) NOS2NOS1NOS3ARG1ARG2
SCHEMBL8022170 0.82 — —
SCHEMBL11114575 0.82 — —
SCHEMBL24154514 0.81 NOS2 (0.47) NOS2NOS1NOS3EPHX1TDP1
SCHEMBL28472089 0.81 ARG1 (0.58) NOS2NOS1NOS3ARG1ARG2
SCHEMBL8024937 0.81 ARG1 (0.40) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3406265-B1 COMPLEXES OF VIRAL-BASED THERAPEUTIC AGENTS AND MODIFIED POLY(BETA-AMINO ESTERS) SAGETIS BIOTECH SL (ES) 2020-07-29 — — EP disclosed
EP-0675133-B1 13-Substituted milbemycin derivatives, their preparation and use SANKYO CO (JP) 2000-01-12 — — EP disclosed
US-5614470-A AGRICULTURAL ANTHELMINTIC, ACARICIDE, INSECTICIDE SANKYO COMPANY, LIMITED (JP) 1997-03-25 — — US disclosed
EP-0675133-A1 13-Substituted milbemycin derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1995-10-04 — — EP disclosed
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