SCHEMBL6328361

SCHEMBL6328361

CC(C(=O)c1ccccc1)S(=O)(=O)N(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
HTT P42858 4/20 0.44
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PGR P06401 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
HTR2A P28223 1/20 0.44
HRH1 P35367 1/20 0.44
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 3/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CA12 O43570 1/20 0.40

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
SCHEMBL15672960 0.85 HTT (0.46) LMNAHTTMAPTSMN1; SMN2MEN1
SCHEMBL5907933 0.84 PGR (0.47) LMNAHTTMAPTSMN1; SMN2KMT2A
SCHEMBL400891 0.84 CA12 (0.43) LMNAHTTMAPTSMN1; SMN2MEN1
SCHEMBL7754750 0.76 PGR (0.48) LMNAHTTMAPTSMN1; SMN2KMT2A
SCHEMBL15672929 0.76 CA12 (0.48) LMNAHTTMAPTSMN1; SMN2MEN1
SCHEMBL12251459 0.76 CA12 (0.48) LMNAHTTMAPTSMN1; SMN2MEN1
SCHEMBL29012544 0.74 PGR (0.47) LMNAHTTMAPTSMN1; SMN2KMT2A
SCHEMBL20867846 0.74 PGR (0.47) LMNAHTTMAPTSMN1; SMN2KMT2A
SCHEMBL5907958 0.74 PGR (0.45) HTTMAPTPGRADRA2AADRA2B
SCHEMBL15672824 0.74 TSHR (0.46) LMNAHTTMAPTSMN1; SMN2MEN1

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
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US claimed
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed