Chalcone

Chalcone

SCHEMBL27749563

COc1ccccc1N.O=C(C=Cc1ccccc1)c1ccccc1

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
TNFRSF1A P19438 4/20 0.63
BCHE P06276 4/20 0.63
CYP1B1 Q16678 4/20 0.63
MAOB P27338 3/20 0.63
LMNA P02545 2/20 0.63
PLIN1 O60240 1/20 0.63
ACHE P22303 1/20 0.63
RECQL P46063 1/20 0.63
PLIN5 Q00G26 1/20 0.63
ABHD5 Q8WTS1 1/20 0.63
ALDH1A1 P00352 2/20 0.62
CYP3A4 P08684 2/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
MEN1 O00255 1/20 0.62
HSPD1 P10809 1/20 0.62
HSPE1 P61604 1/20 0.62
KMT2A Q03164 1/20 0.62
NFKB1 P19838 1/20 0.62

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
SCHEMBL28301346 0.83 MAPT (0.59) MAPTTNFRSF1ACYP1B1MAOBALDH1A1
Chalcone SCHEMBL31039499 0.81 CYP1B1 (0.96) MAPTTNFRSF1ABCHECYP1B1MAOB
Chalcone SCHEMBL27972457 0.79 CYP1B1 (0.92) MAPTTNFRSF1ABCHECYP1B1MAOB
Chalcone SCHEMBL27972455 0.79 CYP1B1 (0.92) MAPTTNFRSF1ABCHECYP1B1MAOB
Chalcone SCHEMBL29396001 0.79 CYP1B1 (1.00) MAPTTNFRSF1ABCHECYP1B1MAOB
Chalcone SCHEMBL27581 0.79 CYP1B1 (1.00) MAPTTNFRSF1ABCHECYP1B1MAOB
Chalcone SCHEMBL29922932 0.79 CYP1B1 (1.00) MAPTTNFRSF1ABCHECYP1B1MAOB
Chalcone SCHEMBL2404758 0.79 CYP1B1 (1.00) MAPTTNFRSF1ABCHECYP1B1MAOB
Chalcone SCHEMBL27580 0.79 CYP1B1 (1.00) MAPTTNFRSF1ABCHECYP1B1MAOB
Chalcone SCHEMBL454583 0.79 CYP1B1 (1.00) MAPTTNFRSF1ABCHECYP1B1MAOB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101357902-B Method for preparing N- formyl-2H-4chloroquinoline derivate UNIV ZHEJIANG TECHNOLOGY 2011-06-29 CN disclosed
CN-101357902-A Method for preparing N- formyl-2H-4chloroquinoline derivate UNIV ZHEJIANG TECHNOLOGY (CN) 2009-02-04 CN disclosed