SCHEMBL28587298

SCHEMBL28587298

NCCNNS(=O)(=O)O.[NaH]

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
SLC6A6 P31641 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
APP P05067 1/20 0.33
MEN1 O00255 1/20 0.30
CA12 O43570 1/20 0.30
CA6 P23280 1/20 0.30
CA7 P43166 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL6277870 0.74
SCHEMBL28376305 0.74
SCHEMBL9749128 0.72
SCHEMBL360351 0.70
SCHEMBL28562332 0.70 LMNA (0.55) LMNASLC6A6CYP2C19BLMAPP
Hydrochloric Acid SCHEMBL3523504 0.70 KDM4E (0.33) MEN1CA12CA6CA7RECQL
SCHEMBL10709790 0.68 CA1 (0.46) MEN1CA12CA7KMT2ACA14
SCHEMBL11036551 0.68 CA2 (0.47) CA12CA7CA9CA14
Sulfuric Acid SCHEMBL8393633 0.67 CA12 (0.62) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL12469021 0.67 CA1 (0.50)

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-113121773-A Sulfonic acid type solvent-free aqueous polyurethane resin and preparation method thereof 明新孟诺卡(江苏)新材料有限公司 2021-07-16 CN disclosed