SCHEMBL6989873

SCHEMBL6989873

COC(C(C)NO)S(=O)(=O)Cc1cnc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.40
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
FAAH O00519 5/20 0.40
PDE10A Q9Y233 3/20 0.39
MMP1 P03956 1/20 0.39
FCER2 P06734 1/20 0.39
MMP3 P08254 1/20 0.39
TRPM5 Q9NZQ8 1/20 0.39
ACACB O00763 1/20 0.39
MEN1 O00255 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
ACP1 P24666 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
SCHEMBL6984800 0.85 KMT2A (0.38) KMT2AKDM4ESMN1; SMN2CYP1A2MMP2
Hydrochloric Acid SCHEMBL6983553 0.84 CYP1A2 (0.42) KMT2AKDM4ESMN1; SMN2CYP1A2HIF1A
SCHEMBL6665570 0.83 KDM4E (0.40) KMT2AKDM4ESMN1; SMN2CYP1A2MMP2
SCHEMBL6079755 0.82 KMT2A (0.42) KMT2AKDM4ESMN1; SMN2CYP1A2MMP2
SCHEMBL6988576 0.81 KDM4E (0.41) KMT2AKDM4ESMN1; SMN2CYP1A2MMP2
SCHEMBL6987795 0.80 CYP1A2 (0.43) KMT2AKDM4ESMN1; SMN2CYP1A2MMP2
SCHEMBL6606296 0.79 MMP2 (0.48) KMT2AKDM4ESMN1; SMN2CYP1A2MMP2
SCHEMBL6608602 0.79 KDM4E (0.43) KMT2AKDM4ESMN1; SMN2CYP1A2MMP2
SCHEMBL6608485 0.78 MMP2 (0.48) KMT2AKDM4ESMN1; SMN2CYP1A2MMP2
SCHEMBL6078652 0.78 KMT2A (0.40) KMT2AKDM4ESMN1; SMN2CYP1A2MMP2

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
EP-1289980-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM PLC (GB) 2003-03-12 EP disclosed
WO-2001090100-A1 BICYCLYL OR HETEROBICYCLYLMETHANESULFONYLAMINO-SUBSTITUTED N-HYDROXYFORMAMIDES SMITHKLINE BEECHAM P.L.C. (GB) 2001-11-29 WO disclosed