SCHEMBL903178

SCHEMBL903178

Cc1ccccc1-c1csc2ncnc(Sc3nnnn3C)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 20/20 1.00
PIP4K2C Q8TBX8 15/20 1.00
PAX8 Q06710 3/20 0.78
MEN1 O00255 1/20 0.76
LMNA P02545 1/20 0.76
TP53 P04637 1/20 0.76
POLB P06746 1/20 0.76
TSHR P16473 1/20 0.76
KMT2A Q03164 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
HSD17B10 Q99714 1/20 0.76
TDP1 Q9NUW8 2/20 0.74
MITF O75030 2/20 0.70

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
SCHEMBL903164 0.86 HTT (1.00) HTTPIP4K2CPAX8MEN1LMNA
SCHEMBL903219 0.85 HTT (1.00) HTTPIP4K2CPAX8MEN1LMNA
SCHEMBL903180 0.83 HTT (1.00) HTTPIP4K2CPAX8MEN1LMNA
SCHEMBL10202430 0.82 HTT (1.00) HTTPIP4K2CPAX8MEN1LMNA
SCHEMBL903199 0.81 HTT (1.00) HTTPIP4K2CPAX8MEN1LMNA
SCHEMBL903202 0.79 HTT (1.00) HTTPIP4K2CPAX8MEN1LMNA
SCHEMBL903196 0.77 HTT (1.00) HTTPIP4K2CPAX8MEN1LMNA
SCHEMBL10202432 0.77 HTT (1.00) HTTPIP4K2CPAX8MEN1LMNA
SCHEMBL903184 0.77 HTT (1.00) HTTPIP4K2CPAX8MEN1LMNA
SCHEMBL900175 0.76 PIP4K2C (1.00) HTTPIP4K2CPAX8MEN1LMNA

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