SCHEMBL903207

SCHEMBL903207

CS(=O)(=O)c1cccc(-c2csc3ncnc(NCCCN)c23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIP4K2C Q8TBX8 19/20 1.00
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52

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
SCHEMBL903171 0.94 PIP4K2C (0.89) PIP4K2C
SCHEMBL903108 0.88 PIP4K2C (0.79) PIP4K2CKDM4EALDH1A1RXFP1
SCHEMBL899193 0.83 PIP4K2C (1.00) PIP4K2C
SCHEMBL900015 0.82 PIP4K2C (1.00) PIP4K2C
SCHEMBL900019 0.81 PIP4K2C (1.00) PIP4K2CALDH1A1
SCHEMBL903157 0.78 PIP4K2C (1.00) PIP4K2C
SCHEMBL900498 0.78 PIP4K2C (1.00) PIP4K2C
SCHEMBL899689 0.77 PIP4K2C (0.66) PIP4K2C
SCHEMBL899843 0.77 PIP4K2C (1.00) PIP4K2C
SCHEMBL899235 0.77 PIP4K2C (1.00) PIP4K2C

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