SCHEMBL28333326

SCHEMBL28333326

CCN(CC)c1ccc2c(c1N(CC)CC)C(c1ccc(S(=O)(=O)O)cc1S(=O)(=O)O)c1ccccc1O2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
PKM P14618 1/20 0.30
ALOX15 P16050 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
SCHEMBL7699608 0.75 MEN1 (0.40) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL16490263 0.71 MEN1 (0.39) ALDH1A1MEN1KMT2AUSP2TSHR
SCHEMBL19293385 0.68 KMT2A (0.38) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL6403066 0.68 MEN1 (0.35) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL6402835 0.68
SCHEMBL5501554 0.68 MEN1 (0.40) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL5501387 0.66 MEN1 (0.40) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL11657332 0.66 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2ATP53
SCHEMBL15325422 0.66 ALDH1A1 (0.46) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL17264739 0.65 MEN1 (0.33) ALDH1A1MAPTMEN1KMT2AUSP2

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-105793471-B Tetrazole-Based Corrosion Inhibitors 艺康美国股份有限公司 2019-11-05 CN disclosed