SCHEMBL1496898

SCHEMBL1496898

CN1CCN(CCCC(NC(=O)NCCc2ccccc2)c2ccc(C(=O)Nc3cscc3N)nc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.38
HDAC2 Q92769 1/20 0.38
DYRK1A Q13627 2/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC1 Q13547 1/20 0.36
HIF1A Q16665 2/20 0.36
DYRK1B Q9Y463 1/20 0.36
CACNA1F O60840 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
DRD2 P14416 1/20 0.36
TACR2 P21452 1/20 0.36
DRD1 P21728 1/20 0.36
DRD5 P21918 1/20 0.36
HRH2 P25021 1/20 0.36
ADRA1D P25100 1/20 0.36
TACR1 P25103 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL1497137 0.96 HDAC3 (0.39) HDAC3HDAC2DYRK1AKMT2AKDM4E
SCHEMBL4229607 0.92 HDAC1 (0.43) HDAC3HDAC2DYRK1AKMT2AKDM4E
SCHEMBL1497209 0.92 ALDH1A1 (0.41) KMT2AKDM4EHSD17B10HIF1ATACR2
SCHEMBL1482240 0.91 ALDH1A1 (0.40) KMT2AKDM4EHSD17B10HIF1ATACR2
SCHEMBL1497039 0.90 CYP1A2 (0.37) HDAC3HDAC2DYRK1AKMT2AKDM4E
SCHEMBL1496947 0.89 SIGMAR1 (0.41) DYRK1AKMT2ACACNA1FADORA3DRD2
SCHEMBL1497050 0.88 ALDH1A1 (0.40) KDM4EHIF1ATACR2EPHX2ALDH1A1
SCHEMBL1497166 0.88 ALDH1A1 (0.41) HDAC3HDAC2KMT2AKDM4EHSD17B10
SCHEMBL4223072 0.88 HDAC1 (0.44) HDAC3HDAC2DYRK1AKMT2AHDAC1
SCHEMBL1497005 0.86 UTS2R (0.42) HDAC3HDAC2KMT2AHDAC1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP disclosed