SCHEMBL28301997

SCHEMBL28301997

O=C(C=Cc1ccccc1C=CCl)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
RAB9A P51151 5/20 0.58
NPC1 O15118 4/20 0.58
LMNA P02545 3/20 0.58
BCHE P06276 2/20 0.58
MAOB P27338 4/20 0.58
CYP1B1 Q16678 2/20 0.58
PLIN1 O60240 1/20 0.58
TNFRSF1A P19438 1/20 0.58
ACHE P22303 1/20 0.58
RECQL P46063 1/20 0.58
PLIN5 Q00G26 1/20 0.58
ABHD5 Q8WTS1 1/20 0.58
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
TYR P14679 1/20 0.54
MAPK1 P28482 1/20 0.54
HSP90AA1 P07900 1/20 0.54
HPGD P15428 5/20 0.53
ALDH1A1 P00352 4/20 0.53

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
SCHEMBL9006476 0.90 MAPT (0.69) MAPTRAB9ANPC1LMNABCHE
SCHEMBL31549898 0.83 MAPT (0.60) MAPTRAB9ANPC1LMNABCHE
SCHEMBL3258196 0.81 MAPT (0.58) MAPTRAB9ANPC1LMNABCHE
SCHEMBL30477506 0.81 MAPT (0.78) MAPTRAB9ANPC1LMNABCHE
SCHEMBL4120846 0.81 MAPT (0.58) MAPTRAB9ANPC1LMNABCHE
SCHEMBL11318820 0.81 MAPT (0.78) MAPTRAB9ANPC1LMNABCHE
SCHEMBL4908405 0.81 MAPT (0.78) MAPTRAB9ANPC1LMNABCHE
SCHEMBL4120849 0.81 MAPT (0.58) MAPTRAB9ANPC1LMNABCHE
SCHEMBL4908401 0.81 MAPT (0.78) MAPTRAB9ANPC1LMNABCHE
SCHEMBL29569445 0.81 MAPT (0.62) MAPTRAB9ANPC1LMNABCHE

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-109824610-A A kind of chalcone derivative, preparation method and application containing quinoxaline 贵州大学 2019-05-31 CN disclosed