SCHEMBL12692736

SCHEMBL12692736

COc1ccc2c(c1)c(=O)c1cc(C)ccc1n2C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
MAPT P10636 4/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
KDM4E B2RXH2 3/20 0.57
HPGD P15428 3/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
HTT P42858 1/20 0.57
HSD17B10 Q99714 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.50
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
MAPK1 P28482 2/20 0.47

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
SCHEMBL30858723 0.86 KDM4E (0.51) ALDH1A1MAPTL3MBTL1KDM4EKMT2A
SCHEMBL26506582 0.86 KDM4E (0.51) ALDH1A1MAPTL3MBTL1KDM4EKMT2A
SCHEMBL6152266 0.84 L3MBTL1 (0.76) ALDH1A1MAPTL3MBTL1KDM4EHPGD
SCHEMBL13412890 0.83 KDM4E (0.49) ALDH1A1MAPTL3MBTL1KDM4EKMT2A
SCHEMBL12355265 0.82 MAPT (0.63) ALDH1A1MAPTL3MBTL1KDM4EHPGD
SCHEMBL14280392 0.82 KDM4E (0.59) MAPTKDM4EKMT2AHSD17B10SMN1; SMN2
SCHEMBL11047658 0.80 ALDH1A1 (0.81) ALDH1A1MAPTL3MBTL1KDM4EHPGD
SCHEMBL2756511 0.80 ATM (0.51) MAPTL3MBTL1KDM4EKMT2AMEN1
SCHEMBL24155343 0.79 L3MBTL1 (0.52) ALDH1A1MAPTL3MBTL1KDM4EHPGD
SCHEMBL12692761 0.78 ATM (0.58) ALDH1A1MAPTL3MBTL1KDM4EHPGD

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
EP-2502915-A1 AROMATIC SULFONIUM SALT COMPOUND Adeka Corporation (JP) 2012-09-26 EP disclosed