SCHEMBL21067372

SCHEMBL21067372

NCCCCC(N)B(O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.50
GSR P00390 1/20 0.44
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
DPP7 Q9UHL4 2/20 0.40
ANPEP P15144 1/20 0.39
RNPEP Q9H4A4 1/20 0.38
NFKB1 P19838 1/20 0.37
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 0.35
DNM1 Q05193 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
SCHEMBL21067370 1.00 NOS2 (0.50) NOS2GSRDPP8DPP9DPP7
SCHEMBL7370919 0.77 NOS2 (0.48) NOS2ANPEP
SCHEMBL7442710 0.77 NOS2 (0.48) NOS2ANPEP
Hydrochloric Acid SCHEMBL7373039 0.75 NOS2 (0.47) NOS2ANPEP
SCHEMBL7374183 0.74
Hydrochloric Acid SCHEMBL7371540 0.72 NOS2 (0.48) NOS2ANPEP
Hydrochloric Acid SCHEMBL7721003 0.72 NOS2 (0.48) NOS2ANPEP
SCHEMBL4785238 0.72 NOS2 (0.44) NOS2ANPEPLMNATSHR
SCHEMBL756509 0.69
SCHEMBL12295827 0.69

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-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed