SCHEMBL903197

SCHEMBL903197

Cn1nnnc1Sc1ncnc2scc(-c3ccc4c(=O)ccoc4c3)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 20/20 1.00
PIP4K2C Q8TBX8 17/20 1.00
ADRB2 P07550 2/20 0.65
PAX8 Q06710 8/20 0.63
USP2 O75604 1/20 0.63
MEN1 O00255 2/20 0.62
TP53 P04637 2/20 0.62
KMT2A Q03164 2/20 0.62
MITF O75030 2/20 0.62
MAPT P10636 1/20 0.62
STAT3 P40763 1/20 0.62
STAT1 P42224 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
LMNA P02545 1/20 0.61
POLB P06746 1/20 0.61
TSHR P16473 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HSD17B10 Q99714 1/20 0.61

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
SCHEMBL903199 0.78 HTT (1.00) HTTPIP4K2CADRB2PAX8USP2
SCHEMBL903164 0.77 HTT (1.00) HTTPIP4K2CADRB2PAX8MEN1
SCHEMBL10202432 0.76 HTT (1.00) HTTPIP4K2CADRB2PAX8MEN1
SCHEMBL900175 0.75 PIP4K2C (1.00) HTTPIP4K2CPAX8MEN1TP53
SCHEMBL903202 0.74 HTT (1.00) HTTPIP4K2CADRB2PAX8MEN1
SCHEMBL903184 0.73 HTT (1.00) HTTPIP4K2CPAX8MEN1TP53
SCHEMBL903222 0.71 HTT (1.00) HTTPIP4K2CADRB2PAX8MEN1
SCHEMBL10202430 0.71 HTT (1.00) HTTPIP4K2CADRB2PAX8MEN1
SCHEMBL903178 0.71 HTT (1.00) HTTPIP4K2CPAX8MEN1TP53
SCHEMBL903196 0.69 HTT (1.00) HTTPIP4K2CADRB2PAX8MEN1

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