SCHEMBL29131980

SCHEMBL29131980

CC(C)(C)N(C(=O)N(O)Cc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.54
HTT P42858 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALOX5 P09917 4/20 0.44
LMNA P02545 3/20 0.44
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
PAX8 Q06710 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL10959895 0.80 NPSR1 (0.50) HTTMEN1KMT2AL3MBTL1NPC1
SCHEMBL29131988 0.80 HTT (0.42) RIPK1HTTMEN1KMT2AL3MBTL1
SCHEMBL7034982 0.77 KMT2A (0.47) RIPK1HTTMEN1KMT2AL3MBTL1
SCHEMBL19570751 0.75 NPSR1 (0.61) HTTMEN1KMT2AL3MBTL1NPC1
SCHEMBL11882082 0.75 NPSR1 (0.45) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL7800481 0.74 RIPK1 (0.72) RIPK1HTTMEN1KMT2AL3MBTL1
SCHEMBL1856168 0.73 HDAC8 (0.47) RIPK1HTTMEN1KMT2AL3MBTL1
SCHEMBL3279004 0.72 ALOX5 (0.60) RIPK1HTTALOX5LMNAPTGS1
SCHEMBL6626142 0.71 KMT2A (0.46) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL1436622 0.71 ALOX5 (0.70) RIPK1MEN1KMT2AALOX5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114716343-B Novel NAMPT enzyme agonist, preparation and application thereof 清华大学 2023-03-21 CN disclosed
CN-114716343-A Novel NAMPT enzyme agonist, preparation and application thereof 清华大学 2022-07-08 CN disclosed