SCHEMBL30996604

SCHEMBL30996604

Cc1c([N+](=O)[O-])cnn1C1CCSCC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
FPR1 P21462 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NR3C1 P04150 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL23275100 0.89 PKM (0.40) PKMPOLBL3MBTL1MEN1KMT2A
SCHEMBL26121604 0.86 PKM (0.38) PKMPOLBL3MBTL1MEN1KMT2A
SCHEMBL20555375 0.84 PDE1C (0.42) POLBALDH1A1CYP2C9
SCHEMBL15995596 0.82 ALOX15 (0.50) PKMPOLBL3MBTL1MEN1KMT2A
SCHEMBL17610427 0.82 CHRNB2 (0.41) PKMPOLBL3MBTL1MEN1KMT2A
SCHEMBL16985293 0.82 POLB (0.38) PKMPOLBL3MBTL1MEN1KMT2A
SCHEMBL30996621 0.82 NR3C1 (0.37) PKMPOLBMEN1KMT2AALDH1A1
SCHEMBL30996608 0.81 PKM (0.35) PKMPOLBL3MBTL1MEN1KMT2A
SCHEMBL20555241 0.80 PKM (0.41) PKMPOLBL3MBTL1MEN1KMT2A
SCHEMBL31121567 0.79 PDE1C (0.41) ALDH1A1CYP2C9

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
WO-2024179393-A1 SULFOXIMINE COMPOUNDS AND APPLICATION THEREOF AS LRRK2 PROTEIN KINASE INHIBITORS 科辉智药(深圳)新药研究中心有限公司 2024-09-06 WO disclosed
CN-118546132-A Sulfoxide imide compound and application thereof as LRRK2 protein kinase inhibitor 科辉智药(深圳)新药研究中心有限公司 2024-08-27 CN disclosed