SCHEMBL806001

SCHEMBL806001

CCCN(C)CCS(=O)(=O)CC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA14 Q9ULX7 2/20 0.39
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL806002 0.82 CA1 (0.40) CA1CA12CA2CA14KDM5A
SCHEMBL14195997 0.81 CA1 (0.32) CA1KDM5AKDM4CLMNA
SCHEMBL14433275 0.80 MAPT (0.38) LMNA
SCHEMBL14221733 0.80 LTA4H (0.40) CA1CA12CA2CA14KDM5A
SCHEMBL14624060 0.78 LTA4H (0.39) CA1CA12CA2CA14KDM5A
SCHEMBL12134492 0.77 ALDH1A1 (0.30)
SCHEMBL129815 0.76
SCHEMBL20356310 0.76 SIGMAR1 (0.32) CA1CA12CA2CA14SIGMAR1
SCHEMBL18609544 0.75 ALDH1A1 (0.39) CA1CA12CA2CA14CA3
SCHEMBL24438183 0.73 CA1 (0.37) CA1CA12CA2CA14KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2966076-A1 NOVEL TYROSINE KINASE INHIBITORS ChemBridge Corporation (US) 2016-01-13 EP disclosed
EP-2262807-B1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORP (US) 2015-08-12 EP disclosed
WO-2012037155-A2 TYROSINE KINASE INHIBITORS GTX, INC. (US) 2012-03-22 WO disclosed
WO-2009117097-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORPORATION (US) 2009-09-24 WO disclosed
WO-2008021369-A2 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2008-02-21 WO disclosed