SCHEMBL9770376

SCHEMBL9770376

CCN(CC)c1ccc2c(c1)-c1ccc(N(CC)CC)cc1C2O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
MEN1 O00255 4/20 0.45
MAPT P10636 4/20 0.45
KMT2A Q03164 4/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
MAPK1 P28482 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP3A4 P08684 3/20 0.43
DYRK1A Q13627 1/20 0.40
TERT O14746 1/20 0.40
HIF1A Q16665 2/20 0.39
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 1/20 0.39
GRK6 P43250 1/20 0.39
RAB9A P51151 1/20 0.39
S100B P04271 1/20 0.39
TDP1 Q9NUW8 3/20 0.37
LMNA P02545 2/20 0.37

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
Hydrochloric Acid SCHEMBL9073065 0.74 ALDH1A1 (0.45) ALDH1A1MEN1MAPTKMT2AL3MBTL1
SCHEMBL9803843 0.72 ALDH1A1 (0.47) ALDH1A1MEN1MAPTKMT2AL3MBTL1
SCHEMBL9803569 0.70 ALDH1A1 (0.43) ALDH1A1MEN1MAPTKMT2AL3MBTL1
SCHEMBL390797 0.70 ALDH1A1 (0.40) ALDH1A1MEN1MAPTKMT2AL3MBTL1
SCHEMBL9803564 0.69 S100B (0.41) ALDH1A1MEN1MAPTKMT2AL3MBTL1
Bromide SCHEMBL8982805 0.69 ALDH1A1 (0.42) ALDH1A1MEN1MAPTKMT2AL3MBTL1
Hydrochloric Acid SCHEMBL31024203 0.68 CASR (0.38) ALDH1A1MEN1MAPTKMT2AL3MBTL1
SCHEMBL28729340 0.68 ALDH1A1 (0.38) ALDH1A1MEN1MAPTKMT2AL3MBTL1
SCHEMBL10216439 0.68 ALDH1A1 (0.52) ALDH1A1MEN1MAPTKMT2AL3MBTL1
SCHEMBL10619131 0.68 ALDH1A1 (0.41) ALDH1A1MEN1MAPTKMT2AL3MBTL1

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-4981836-A Recording material FUJI PHOTO FILM CO., LTD. (JP) 1991-01-01 US disclosed