SCHEMBL22293733

SCHEMBL22293733

c1cc2c(cc1N1CCCC1)Cc1cc(N3CCCC3)ccc1C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.48
ALDH1A1 P00352 6/20 0.47
MAPT P10636 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
MEN1 O00255 3/20 0.47
ALOX15 P16050 3/20 0.47
KMT2A Q03164 3/20 0.47
S100B P04271 2/20 0.47
GAA P10253 2/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CHKA P35790 1/20 0.46
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL28492509 0.82 NPC1 (0.52) TERTALDH1A1MAPTL3MBTL1MEN1
SCHEMBL22681915 0.80 TERT (0.47) TERTALDH1A1MAPTL3MBTL1MEN1
SCHEMBL13296368 0.79 TERT (0.43) TERTALDH1A1MAPTL3MBTL1MEN1
SCHEMBL13296377 0.78 ALDH1A1 (0.44) TERTALDH1A1MAPTL3MBTL1MEN1
SCHEMBL21922967 0.78 ALDH1A1 (0.44) TERTALDH1A1MAPTL3MBTL1MEN1
Hydrochloric Acid SCHEMBL2478450 0.78 TERT (0.42) TERTALDH1A1MAPTL3MBTL1MEN1
SCHEMBL3878501 0.77 ACHE (0.45) TERTALDH1A1MAPTL3MBTL1MEN1
SCHEMBL30609042 0.77 ALDH1A1 (0.41) TERTALDH1A1MAPTL3MBTL1MEN1
Hydrochloric Acid SCHEMBL2477888 0.77 ALDH1A1 (0.44) TERTALDH1A1MAPTL3MBTL1MEN1
SCHEMBL30180170 0.75 ALDH1A1 (0.46) TERTALDH1A1MAPTL3MBTL1MEN1

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-3689346-A1 3,6-DISUBSTITUTED XANTHYLIUM SALTS WisTa Laboratories Ltd. (SG) 2020-08-05 EP disclosed