SCHEMBL900175

SCHEMBL900175

Cn1nnnc1Sc1ncnc2scc(-c3cccc(S(C)(=O)=O)c3)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIP4K2C Q8TBX8 17/20 1.00
HTT P42858 16/20 1.00
PAX8 Q06710 5/20 1.00
MITF O75030 2/20 0.73
MEN1 O00255 1/20 0.71
LMNA P02545 1/20 0.71
TP53 P04637 1/20 0.71
POLB P06746 1/20 0.71
TSHR P16473 1/20 0.71
KMT2A Q03164 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
HSD17B10 Q99714 1/20 0.71

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
SCHEMBL30107644 1.00 PIP4K2C (1.00) PIP4K2CHTTPAX8MITFMEN1
SCHEMBL899748 0.86 PIP4K2C (1.00) PIP4K2CHTTPAX8
SCHEMBL903164 0.84 HTT (1.00) PIP4K2CHTTPAX8MITFMEN1
SCHEMBL903184 0.82 HTT (1.00) PIP4K2CHTTPAX8MITFMEN1
SCHEMBL900911 0.81 PIP4K2C (1.00) PIP4K2CHTTPAX8
SCHEMBL903199 0.81 HTT (1.00) PIP4K2CHTTPAX8MITFMEN1
SCHEMBL901247 0.80 PIP4K2C (1.00) PIP4K2CHTTPAX8
SCHEMBL900551 0.80 PIP4K2C (1.00) PIP4K2CHTTPAX8
SCHEMBL899971 0.79 PIP4K2C (0.71) PIP4K2CHTTPAX8MITFMEN1
SCHEMBL900003 0.79 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 2 patents. 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
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