SCHEMBL9630560

SCHEMBL9630560

NS(=O)(=O)c1ccc(N(S)C(=O)Nc2ccc(OCc3ccc4ccccc4n3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.52
GPBAR1 Q8TDU6 1/20 0.48
CYSLTR1 Q9Y271 4/20 0.48
CYSLTR2 Q9NS75 3/20 0.48
ADAMTS4 O75173 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
ALOX5 P09917 1/20 0.46
FFAR1 O14842 1/20 0.45
AKR1B1 P15121 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL9632136 0.91 PDE10A (0.54) PDE10AGPBAR1CYSLTR1CYSLTR2ADAMTS4
SCHEMBL9630556 0.83 MEN1 (0.65) PDE10AGPBAR1CYSLTR1CYSLTR2ADAMTS4
SCHEMBL9632872 0.75 PDE10A (0.48) PDE10AGPBAR1CYSLTR1CYSLTR2ALOX5
SCHEMBL7008427 0.74 GPBAR1 (0.64) PDE10AGPBAR1CYSLTR1CYSLTR2MEN1
SCHEMBL9630717 0.74 PDE10A (0.45) PDE10AGPBAR1CYSLTR1CYSLTR2ALOX5
SCHEMBL9631884 0.74 PDE10A (0.58) PDE10AGPBAR1CYSLTR1ALOX5
SCHEMBL9632132 0.73 ADAMTS4 (0.52) PDE10AGPBAR1CYSLTR1CYSLTR2ADAMTS4
SCHEMBL9865885 0.73 GPBAR1 (0.57) PDE10AGPBAR1CYSLTR1CYSLTR2ADAMTS4
SCHEMBL9866291 0.73 CYSLTR1 (0.52) PDE10AGPBAR1CYSLTR1CYSLTR2ADAMTS4
SCHEMBL9876648 0.72 CYSLTR2 (0.60) PDE10AGPBAR1CYSLTR1CYSLTR2ADAMTS4

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
US-5120744-A For combating diseases susceptible to the action of lipoxygenase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1992-06-09 US disclosed