SCHEMBL6984800

SCHEMBL6984800

COC(C(C)NCC#N)S(=O)(=O)Cc1cnc2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALPL P05186 2/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
PDE10A Q9Y233 5/20 0.37
ACACB O00763 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
FAAH O00519 5/20 0.36
TRPM5 Q9NZQ8 1/20 0.35
RAB9A P51151 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 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
SCHEMBL6989873 0.85 KMT2A (0.44) KMT2AKDM4ESMN1; SMN2CYP1A2HIF1A
SCHEMBL6663806 0.84 CYP1A2 (0.37) KMT2AKDM4ESMN1; SMN2CYP1A2ALPL
Hydrochloric Acid SCHEMBL6983553 0.80 CYP1A2 (0.42) KMT2AKDM4ESMN1; SMN2CYP1A2HIF1A
SCHEMBL6077699 0.80 CYP1A2 (0.37) KMT2AKDM4ESMN1; SMN2CYP1A2ALPL
Hydrochloric Acid SCHEMBL6990339 0.77 CYP1A2 (0.31) CYP1A2ACACBSIRT2
SCHEMBL6400327 0.76 CYP1A2 (0.38) KMT2AKDM4ESMN1; SMN2CYP1A2ALPL
SCHEMBL6400334 0.76 CYP1A2 (0.38) KMT2AKDM4ESMN1; SMN2CYP1A2ALPL
SCHEMBL6988576 0.76 KDM4E (0.41) KMT2AKDM4ESMN1; SMN2CYP1A2HIF1A
SCHEMBL6607771 0.75 MMP2 (0.38) KMT2AKDM4ECYP1A2ALPLHIF1A
SCHEMBL6987203 0.75 CYP1A2 (0.38) KMT2AKDM4ECYP1A2ALPLHIF1A

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