SCHEMBL29623703

SCHEMBL29623703

CCCCOC(=O)N(C)CCN(c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
ALOX12 P18054 1/20 0.45
CYP19A1 P11511 3/20 0.42
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
MGLL Q99685 2/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL29623674 0.84 LMNA (0.46) MAPTLMNAALDH1A1GAASMN1; SMN2
SCHEMBL21932140 0.81 ALDH1A1 (0.40) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL28032524 0.79 ALDH1A1 (0.56) MAPTMEN1KMT2ALMNAALOX12
SCHEMBL2999739 0.77 MAPT (0.54) MAPTMEN1KMT2ALMNACYP19A1
SCHEMBL3146623 0.76 MAPT (0.49) MAPTMEN1KMT2ACYP19A1ALDH1A1
SCHEMBL28546052 0.76 ATM (0.44) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL3159673 0.73 MAPT (0.50) MAPTMEN1KMT2ALMNACYP19A1
SCHEMBL5624112 0.72 ALDH1A1 (0.51) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL3143812 0.71 MAPT (0.47) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL21932234 0.70 MAPT (0.45) MAPTMEN1KMT2ALMNAALDH1A1

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
EP-3986468-A1 ANTIB0DY-ALK5 INHIBITOR CONJUGATES AND THEIR USES Synthis Therapeutics, Inc. (US) 2022-04-27 EP disclosed