SCHEMBL29772182

SCHEMBL29772182

CCOC(=O)c1c2c(cn1S(=O)(=O)c1ccccc1)C(=O)CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.44
ALDH1A1 P00352 10/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
KDM4E B2RXH2 5/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 1/20 0.41
ADORA2A P29274 1/20 0.41
MEN1 O00255 2/20 0.41
CYP2C19 P33261 1/20 0.40
MAPT P10636 5/20 0.40
HSD17B10 Q99714 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALOX15 P16050 2/20 0.40

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
SCHEMBL21633617 0.84 LMNA (0.46) ALDH1A1LMNAHTTKDM4EKMT2A
SCHEMBL29772186 0.81 KMT2A (0.43) CNR2ALDH1A1LMNAMAPK1NPSR1
SCHEMBL31020216 0.78 GAA (0.46) ALDH1A1LMNAMAPK1NPSR1PKM
SCHEMBL23496517 0.76 BRD4 (0.46) ALDH1A1LMNAMAPK1NPSR1KDM4E
SCHEMBL21633644 0.76 KDM4E (0.44) ALDH1A1LMNAMAPK1NPSR1KDM4E
SCHEMBL29772175 0.76 HTR6 (0.46) CNR2ALDH1A1LMNAMAPK1NPSR1
SCHEMBL15561085 0.73 ALDH1A1 (0.46) ALDH1A1LMNAMAPK1NPSR1PKM
SCHEMBL23042127 0.73 HTR6 (0.49) L3MBTL1
SCHEMBL21633719 0.71 L3MBTL1 (0.42) ALDH1A1NPSR1PKMHTTMAPT
SCHEMBL12546712 0.70 KMT2A (0.46) ALDH1A1LMNAMAPK1NPSR1PKM

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-4021910-A1 NEW THERAPEUTIC AGENTS FOR THE TREATMENT OF HAEMATOLOGICAL PATHOLOGIES Universita' degli Studi di Palermo (IT) 2022-07-06 EP disclosed