SCHEMBL900007

SCHEMBL900007

CS(=O)(=O)c1cccc(-c2csc3ncnc(Sc4c[nH]nn4)c23)c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIP4K2C Q8TBX8 20/20 0.68
HTT P42858 1/20 0.64
PAX8 Q06710 1/20 0.64

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
SCHEMBL900462 0.82 PIP4K2C (0.69) PIP4K2CHTTPAX8
SCHEMBL901247 0.81 PIP4K2C (1.00) PIP4K2CHTTPAX8
SCHEMBL900551 0.80 PIP4K2C (1.00) PIP4K2CHTTPAX8
SCHEMBL900003 0.79 PIP4K2C (1.00) PIP4K2CHTTPAX8
SCHEMBL899748 0.79 PIP4K2C (1.00) PIP4K2CHTTPAX8
SCHEMBL899750 0.79 PIP4K2C (1.00) PIP4K2CHTTPAX8
SCHEMBL903163 0.78 PIP4K2C (1.00) PIP4K2CHTTPAX8
SCHEMBL900175 0.78 PIP4K2C (1.00) PIP4K2CHTTPAX8
SCHEMBL30107644 0.78 PIP4K2C (1.00) PIP4K2CHTTPAX8
SCHEMBL899851 0.77 PIP4K2C (1.00) PIP4K2CHTTPAX8

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
WO-2012044993-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF TREATING OR PREVENTING NEURODEGENERATIVE DISEASES OR DISORDERS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-04-05 WO disclosed