SCHEMBL28524587

SCHEMBL28524587

O=S(=O)(/N=C/N1CCOCC1)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
F2 P00734 3/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
TSHR P16473 2/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
KDM4E B2RXH2 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR6 P50406 2/20 0.38
PRKDC P78527 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
SCHEMBL28713848 0.77 KMT2A (0.74) KMT2AMEN1TSHRKDM4ERAB9A
SCHEMBL20021983 0.75 KMT2A (0.71) KMT2AMEN1TSHRKDM4ENPC1
SCHEMBL3539526 0.72 F2 (0.56) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL12657963 0.72 F2 (0.56) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL28101066 0.71 KMT2A (0.50) KMT2AMEN1TSHRCA1CA2
SCHEMBL28820221 0.71 KMT2A (0.73) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL30249965 0.71 KMT2A (0.73) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL6580084 0.69 F2 (0.65) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL9840763 0.68 F2 (0.68) KMT2AMEN1F2PRSS1PRSS2
SCHEMBL11815342 0.68 MEN1 (0.60) KMT2AMEN1TSHRKDM4ENPC1

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-112300093-B Sulfonyl formamidine compound and synthesis method and application thereof 长江师范学院 2023-02-24 CN disclosed
CN-112300093-A Sulfonyl formamidine compound and synthesis method and application thereof 长江师范学院 2021-02-02 CN disclosed