SCHEMBL13005194

SCHEMBL13005194

CC[n+]1c(/C=C/c2ccc(C(=O)O)c(O)c2)ccc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.57
POLB P06746 5/20 0.57
MEN1 O00255 5/20 0.57
RAB9A P51151 3/20 0.55
HTT P42858 2/20 0.55
BLM P54132 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
PPARG P37231 1/20 0.55
NCOA2 Q15596 1/20 0.55
NCOA1 Q15788 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PTPN1 P18031 4/20 0.48
NPC1 O15118 3/20 0.46
ACHE P22303 6/20 0.43
HNF4A P41235 1/20 0.42
BCHE P06276 3/20 0.40
NSD2 O96028 1/20 0.40

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
SCHEMBL12866129 0.86 KMT2A (0.65) KMT2APOLBMEN1RAB9AHTT
SCHEMBL12866033 0.80 KMT2A (0.64) KMT2APOLBMEN1RAB9AHTT
SCHEMBL12866035 0.78 KMT2A (0.47) KMT2APOLBMEN1RAB9AHTT
Iodide SCHEMBL6858957 0.78 KMT2A (0.72) KMT2APOLBMEN1RAB9AHTT
Iodide SCHEMBL6561111 0.78 KMT2A (0.72) KMT2APOLBMEN1RAB9AHTT
Iodide SCHEMBL11797343 0.77 KMT2A (0.75) KMT2APOLBMEN1RAB9AHTT
SCHEMBL9589439 0.76 KMT2A (0.70) KMT2APOLBMEN1RAB9AHTT
SCHEMBL9589447 0.76 KMT2A (0.70) KMT2APOLBMEN1RAB9AHTT
Bromide SCHEMBL10347959 0.75 KMT2A (0.68) KMT2APOLBMEN1RAB9AHTT
Bromide SCHEMBL10347957 0.75 KMT2A (0.68) KMT2APOLBMEN1RAB9AHTT

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-7851701-B2 Dye-sensitized photoelectric conversion device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-12-14 US disclosed