SCHEMBL29196372

SCHEMBL29196372

O=c1c2ccccc2nc2n1CCC2CC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.60
BCHE P06276 2/20 0.60
ATM Q13315 2/20 0.52
PDE7A Q13946 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.47
CFTR P13569 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
GOPC Q9HD26 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.46
ABCC1 P33527 1/20 0.44

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
SCHEMBL29196336 0.83 SMN1; SMN2 (0.52) ACHEBCHEALDH1A1KDM4EALOX15
SCHEMBL29196362 0.80 CYP1A1 (0.43) ACHEBCHEALDH1A1KDM4ECYP1A2
SCHEMBL29152960 0.79 ACHE (0.62) ACHEBCHEATMMEN1KMT2A
SCHEMBL29206842 0.79 ACHE (0.59) ACHEBCHEATMMEN1KMT2A
SCHEMBL29196326 0.77 SMN1; SMN2 (0.54) ACHEBCHEKMT2AALDH1A1KDM4E
SCHEMBL3892901 0.75 ACHE (1.00) ACHEBCHEATMMEN1KMT2A
SCHEMBL5511124 0.75 ACHE (0.69) ACHEBCHEATMMEN1KMT2A
SCHEMBL29638891 0.75 ACHE (1.00) ACHEBCHEATMMEN1KMT2A
SCHEMBL3909641 0.75 ACHE (0.69) ACHEBCHEATMMEN1KMT2A
SCHEMBL30168025 0.73 ACHE (0.52) ACHEBCHEATMMEN1KMT2A

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
CN-117924292-A Preparation method of alkylated 2, 3-condensed quinazolinone compound 惠州学院 2024-04-26 CN disclosed