SCHEMBL20565682

SCHEMBL20565682

O=S(=O)(O)NC[C@@H]1OC(c2ccccc2)O[C@H]1c1c(Cl)cccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HK2 P52789 7/20 0.34
HK1 P19367 6/20 0.34
GCK P35557 1/20 0.33
PSMB8 P28062 2/20 0.33
PSMB5 P28074 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 2/20 0.32
KMT2A Q03164 1/20 0.32
CA2 P00918 1/20 0.32
MAPT P10636 1/20 0.31
DAGLA Q9Y4D2 1/20 0.31

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
SCHEMBL18783323 1.00 HK2 (0.34) HK2HK1GCKPSMB8PSMB5
SCHEMBL20565964 0.89 HK2 (0.32) HK2HK1GCKPSMB8PSMB5
SCHEMBL20565830 0.89 HK2 (0.32) HK2HK1GCKPSMB8PSMB5
SCHEMBL18783320 0.89 HK2 (0.32) HK2HK1GCKPSMB8PSMB5
SCHEMBL18783419 0.84 MEN1 (0.36) HK2HK1ALDH1A1KMT2AMAPT
SCHEMBL20566306 0.84 MEN1 (0.36) HK2HK1ALDH1A1KMT2AMAPT
SCHEMBL18783393 0.83 HK2 (0.35) HK2HK1GCKKMT2ACA2
SCHEMBL20565828 0.79 HDAC4 (0.36) ALDH1A1KMT2A
SCHEMBL20565688 0.79 HDAC4 (0.36) ALDH1A1KMT2A
SCHEMBL20566196 0.79

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-3079685-B1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN BIO PHARM SOLUTIONS CO LTD (KR) 2018-11-28 EP claimed