SCHEMBL28449448

SCHEMBL28449448

C[S+]([O-])c1nnnn1-c1ccc(Cl)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
TLR8 Q9NR97 3/20 0.40
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 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
SCHEMBL28460171 0.86 L3MBTL1 (0.42) L3MBTL1
SCHEMBL28455875 0.86 L3MBTL1 (0.42) L3MBTL1KMT2A
SCHEMBL28188961 0.82 L3MBTL1 (0.39) L3MBTL1KMT2A
SCHEMBL28449465 0.82 ALDH1A1 (0.46) L3MBTL1LMNA
SCHEMBL28459513 0.78 MAPT (0.53) L3MBTL1KMT2ALMNA
SCHEMBL28188335 0.77 P2RX7 (0.49)
SCHEMBL28189014 0.75 ALDH1A1 (0.53)
SCHEMBL28455335 0.75 LMNA (0.47) L3MBTL1KMT2ALMNAPKM
SCHEMBL28188966 0.75 ALDH1A1 (0.54) L3MBTL1TLR8KMT2ALMNA
SCHEMBL28454297 0.74 POLB (0.48) KMT2ALMNA

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-107501198-B Sulfoxide tetrazole derivative and preparation method and application thereof 南京农业大学 2020-08-18 CN claimed
CN-107501198-B Sulfoxide tetrazole derivative and preparation method and application thereof 南京农业大学 2020-08-18 CN disclosed