SCHEMBL5887732

SCHEMBL5887732

Cc1cc(C)cc(-c2ccccc2Sc2ccccc2-c2cc(C)cc(C)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.41
BRD7 Q9NPI1 1/20 0.41
HTR7 P34969 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
ACHE P22303 1/20 0.35
MAPT P10636 5/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TP53 P04637 2/20 0.34
HPGD P15428 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
NPC1 O15118 2/20 0.34

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
SCHEMBL3281142 0.80 RAB9A (0.46) HTR7ACHEMAPTMEN1KMT2A
SCHEMBL5887422 0.77 HTR7 (0.42) HTR7SLC6A2SLC6A4SLC6A3MAPT
SCHEMBL8617214 0.76 BRD9 (0.46) BRD9BRD7ACHEMAPTMEN1
SCHEMBL11079208 0.75 HTR7 (0.44) BRD9BRD7HTR7ACHENPC1
SCHEMBL27414909 0.75 CA12 (0.46) BRD9BRD7MAPTTP53HPGD
SCHEMBL1782448 0.74 HTR7 (0.50) HTR7MAPTHPGDLMNAHSD17B10
SCHEMBL726663 0.74 MEN1 (0.39) SLC6A2SLC6A4SLC6A3ACHEMAPT
Hydrogen Sulfide SCHEMBL27964903 0.73 CA12 (0.45) BRD9BRD7MAPTTP53HPGD
SCHEMBL26841190 0.72 HTR7 (0.46) HTR7HPGDHSD17B10ALDH1A1NPC1
SCHEMBL8674981 0.71 ALDH1A1 (0.56) BRD9BRD7MAPTMEN1KMT2A

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
US-7112697-B1 Methods for formation of aryl-sulfur and aryl-selenium compounds using copper(I) catalysts UNIVERSITY OF MASSACHUSETTS (US) 2006-09-26 US disclosed
CN-1684944-A method for copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INST TECHNOLOGY (US) 2005-10-19 CN disclosed