SCHEMBL10405293

SCHEMBL10405293

Cc1ccc(S(=O)(=O)OC([C]=O)CN(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
AGER Q15109 1/20 0.38
VDR P11473 1/20 0.38
CA12 O43570 3/20 0.37
CA9 Q16790 3/20 0.37
CA2 P00918 2/20 0.37
MAPT P10636 2/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
ATM Q13315 1/20 0.36
GLA P06280 1/20 0.36
ALOX15 P16050 1/20 0.36
GAA P10253 2/20 0.36
CYP2C19 P33261 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
C5AR1 P21730 1/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL10402874 0.87 KMT2A (0.39) KMT2AAGERVDRCA12CA9
SCHEMBL22656000 0.76 KMT2A (0.42) KMT2AAGERVDRCA12CA9
SCHEMBL20746450 0.76 KMT2A (0.42) KMT2AAGERVDRCA12CA9
SCHEMBL20746510 0.76 KMT2A (0.42) KMT2AAGERVDRCA12CA9
SCHEMBL10405295 0.76 KMT2A (0.39) KMT2AAGERVDRCA12CA9
SCHEMBL10402875 0.75 KMT2A (0.39) KMT2AAGERVDRCA12CA9
SCHEMBL10403779 0.74 PKM (0.39) KMT2AMAPTGAACYP2C19CYP1A2
SCHEMBL10403709 0.74 GAA (0.43) KMT2AAGERVDRCA12CA9
SCHEMBL3935202 0.72 GLA (0.41) KMT2AVDRCA12CA9CA2
SCHEMBL28928743 0.72 GLA (0.41) KMT2AVDRCA12CA9CA2

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-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed