SCHEMBL4965281

SCHEMBL4965281

CCC(O)(CC)c1csc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
KDM1A O60341 3/20 0.59
KMO O15229 1/20 0.53
LMNA P02545 1/20 0.52
MAOA P21397 1/20 0.52
FSCN1 Q16658 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
DDX3X O00571 1/20 0.48

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
SCHEMBL4966898 0.89 MEN1 (0.60) MEN1KMT2AKDM1ALMNAMAOA
SCHEMBL4965534 0.85 SMN1; SMN2 (0.53) MEN1KMT2AKDM1AKMOMAOA
SCHEMBL4963059 0.84 ALDH1A1 (0.54) MEN1KMT2AKDM1ALMNAALDH1A1
SCHEMBL4966172 0.83 VCAM1 (0.52) MEN1KMT2AKDM1ALMNAMAOA
SCHEMBL4966790 0.83 KDM1A (0.45) MEN1KMT2AKDM1AMAOAALDH1A1
SCHEMBL4962685 0.82 MEN1 (0.60) MEN1KMT2AKDM1ALMNAMAOA
SCHEMBL4964673 0.82 KDM1A (0.53) MEN1KMT2AKDM1AMAOAALDH1A1
SCHEMBL4965545 0.81 KMT2A (0.46) MEN1KMT2AKDM1ALMNAMAOA
SCHEMBL4966051 0.81 KDM1A (0.60) MEN1KMT2AKDM1ALMNAMAOA
SCHEMBL4965945 0.80 GLO1 (0.48) MEN1KMT2AKDM1AMAOAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888544-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2008-02-20 EP claimed
WO-2006066109-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-06-22 WO claimed
EP-1888544-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS Takeda San Diego, Inc. (US) 2008-02-20 EP disclosed
WO-2006066109-A2 HYDROXYSTEROID DEHYDROGENASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-06-22 WO disclosed