SCHEMBL29512840

SCHEMBL29512840

O=[N+]([O-])c1ccccc1N1CCCCC1CCO

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 3/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.42
CUL4A Q13619 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
AKR1C3 P42330 1/20 0.39
HTT P42858 1/20 0.39
NPY5R Q15761 1/20 0.39
NAMPT P43490 1/20 0.38
CTSB P07858 1/20 0.38
AR P10275 1/20 0.38
ACHE P22303 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ENPP2 Q13822 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
SCHEMBL29512894 0.90 CUL4A (0.49) KMT2AALDH1A1MCOLN3MEN1LMNA
SCHEMBL4060044 0.85 ALDH1A1 (0.47) KMT2AALDH1A1MCOLN3MEN1LMNA
SCHEMBL3435628 0.85 ALDH1A1 (0.47) KMT2AALDH1A1MCOLN3MEN1LMNA
SCHEMBL29512820 0.81 CYP1A2 (0.48) KMT2AALDH1A1MCOLN3MEN1LMNA
SCHEMBL29512729 0.81 ALDH1A1 (0.46) KMT2AALDH1A1MCOLN3MEN1LMNA
SCHEMBL29512581 0.80 KMT2A (0.48) KMT2AALDH1A1MCOLN3MEN1LMNA
SCHEMBL7968507 0.80 FFAR1 (0.52) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL7968505 0.80 FFAR1 (0.52) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL7978124 0.80 FFAR1 (0.52) KMT2AALDH1A1MEN1LMNASMN1; SMN2
SCHEMBL29512738 0.78 KMT2A (0.51) KMT2AALDH1A1MCOLN3MEN1LMNA

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
WO-2022076383-A1 SULFONANILIDE AND BENZYLSULFONYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF Lysoway Therapeutics, Inc. (US) 2022-04-14 WO disclosed