SCHEMBL10880403

SCHEMBL10880403

C=Cc1cc[n+](CC(=C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.48
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.34
ACHE P22303 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
APAF1 O14727 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
Iodide SCHEMBL5662101 0.78 HDAC8 (0.42) HDAC8ALDH1A1TSHRACHETDP1
Bromide SCHEMBL2043946 0.77 HDAC8 (0.54) HDAC8ALDH1A1TSHRACHETDP1
SCHEMBL4195194 0.76 HDAC8 (0.43) HDAC8ALDH1A1TSHRACHETDP1
SCHEMBL20840124 0.75 HDAC8 (0.56) HDAC8ALDH1A1TSHRACHETDP1
Bromide SCHEMBL2043945 0.75 HDAC8 (0.52) HDAC8ALDH1A1TSHRACHETDP1
Hydrochloric Acid SCHEMBL252691 0.74 HDAC8 (0.42) HDAC8ALDH1A1TSHRACHETDP1
SCHEMBL688667 0.74 HDAC8 (0.56) HDAC8ALDH1A1TSHRACHETDP1
Hydrochloric Acid SCHEMBL1292850 0.72 HDAC8 (0.54) HDAC8ALDH1A1TSHRACHETDP1
SCHEMBL20847841 0.72 HDAC8 (0.54) HDAC8ALDH1A1TSHRACHESMN1; SMN2
Bromide SCHEMBL2043943 0.72 HDAC8 (0.54) HDAC8ALDH1A1TSHRACHETDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0076131-B1 HUMIDITY SENSOR AND METHOD FOR PREPARING A HUMIDITY SENSOR Hitachi, Ltd. (JP) 1986-04-09 EP disclosed
US-4473813-A CROSSLINKED SILICONE RESIN HITACHI, LTD. (JP) 1984-09-25 US disclosed
EP-0076131-A1 Humidity sensor and method for preparing a humidity sensor Hitachi, Ltd. (JP) 1983-04-06 EP disclosed