SCHEMBL9863536

SCHEMBL9863536

CN(C)S(=O)(=O)c1ccc(-c2cnc(CCl)o2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 3/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 2/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 1/20 0.43
NOTUM Q6P988 2/20 0.42
PAX8 Q06710 1/20 0.40
HSD17B10 Q99714 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
KCNH2 Q12809 1/20 0.37

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
SCHEMBL9863375 0.82 CA12 (0.40) CA12CA1CA2CA9LMNA
SCHEMBL9863460 0.78 LMNA (0.38) CA12CA1CA2CA9LMNA
SCHEMBL1220436 0.74 NOTUM (0.72) LMNANOTUMHDAC4HDAC6ALDH1A1
SCHEMBL22556732 0.73 NOTUM (0.49) NPC1TP53MAPTNOTUMHSD17B10
SCHEMBL5639177 0.72 NOTUM (0.51) NPC1MAPTNOTUMHSD17B10HDAC4
SCHEMBL5637646 0.72 NOTUM (0.56) NPC1NOTUMHDAC4HDAC6RXRA
SCHEMBL4160149 0.72 NOTUM (0.68) LMNANPC1TP53MAPTNOTUM
SCHEMBL5639075 0.72 HDAC1 (0.53) LMNANPC1MAPTNOTUMHDAC4
SCHEMBL5890969 0.69 LMNA (0.64) CA12CA1CA2CA9LMNA
SCHEMBL5891165 0.69 LMNA (0.64) CA12CA1CA2CA9LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5041567-A Human and veterianary medicine; veneral diseases respiratory diseases, bovine mastitis BEECHAM GROUP PLC (GB) 1991-08-20 US disclosed
US-4812470-A Antibacterial monic acid derivatives BEECHAM GROUP P.L.C. (GB) 1989-03-14 US disclosed
EP-0087953-B1 ANTIBACTERIAL 1-NORMON-2-YL-HETEROCYCLIC COMPOUNDS BEECHAM GROUP PLC (GB) 1988-04-27 EP disclosed
EP-0087953-A2 Antibacterial 1-normon-2-yl-heterocyclic compounds BEECHAM GROUP PLC (GB) 1983-09-07 EP disclosed