SCHEMBL11765896

SCHEMBL11765896

CCc1c(CC)c(CC)c2ccccc2c1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.35
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 5/20 0.35
HTT P42858 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
HBB P68871 1/20 0.35
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
EP300 Q09472 1/20 0.33
GLA P06280 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL3670998 0.91 ACHE (0.35) ACHEKDM4EALDH1A1HTTHPGD
SCHEMBL15213457 0.88 ACHE (0.37) ACHEKDM4EALDH1A1HTTHPGD
SCHEMBL5751135 0.86 ACHE (0.43) ACHEKDM4EALDH1A1HTTHPGD
SCHEMBL8821847 0.85 TP53 (0.43) KDM4EALDH1A1HTTHPGDHSD17B10
Ammonia Solution, Strong SCHEMBL2364100 0.83 TP53 (0.41) KDM4EALDH1A1HTTHPGDMEN1
SCHEMBL7918982 0.80 TP53 (0.43) KDM4EALDH1A1HTTHPGDHSD17B10
SCHEMBL1408684 0.78 ALDH1A1 (0.45) KDM4EALDH1A1HTTHPGDHSD17B10
SCHEMBL29853674 0.77 TP53 (0.45) KDM4EALDH1A1HTTHPGDHSD17B10
SCHEMBL2317562 0.77 TP53 (0.45) KDM4EALDH1A1HTTHPGDHSD17B10
SCHEMBL9576844 0.74 TP53 (0.40) KDM4EALDH1A1HTTHPGDHSD17B10

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-4048118-A ALKALI METAL SALT OF ORGANIC ACID, AMINE SALT OF PHYTIC ACID SHOWA DENKO K.K. (JA) 1977-09-13 US disclosed