SCHEMBL28850341

SCHEMBL28850341

CCN=C(N)N.CCN=C(N)N.SS

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
DHPS P49366 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL689417 0.93
Hydrochloric Acid SCHEMBL27430194 0.90
Hydrochloric Acid SCHEMBL6777486 0.90
Guanidine SCHEMBL28317239 0.84 NOS1 (0.43) NOS1MEN1KMT2AHSD17B10LMNA
Sulfuric Acid SCHEMBL6049591 0.79 BLM (0.50) NOS1MEN1KMT2AHSD17B10LMNA
Phosphoramidic Acid SCHEMBL2237983 0.77 GGPS1 (0.43) NOS1MEN1KMT2AHSD17B10NPSR1
Bromide SCHEMBL3411153 0.73
SCHEMBL1427863 0.73
SCHEMBL14577426 0.73
Hydrochloric Acid SCHEMBL7112164 0.71

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114945566-A Substituted tetrahydrofurans as sodium channel modulators 沃泰克斯药物股份有限公司 2022-08-26 CN disclosed