SCHEMBL9846028

SCHEMBL9846028

N#Cc1ccccc1-c1ccc(CC=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.56
MME P08473 1/20 0.48
FFAR1 O14842 1/20 0.48
AKR1B1 P15121 1/20 0.48
PTPN5 P54829 1/20 0.48
GSK3B P49841 2/20 0.46
GSK3A P49840 1/20 0.46
PPARG P37231 2/20 0.43
PRKAG1 P54619 3/20 0.42
PRKAA1 Q13131 3/20 0.42
PRKAB1 Q9Y478 3/20 0.42
ACHE P22303 2/20 0.42
CNR2 P34972 1/20 0.42
MYC P01106 1/20 0.41
WDR5 P61964 1/20 0.41
GRIA2 P42262 1/20 0.40
GRIA4 P48058 1/20 0.40
TRPA1 O75762 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
ITGB1 P05556 1/20 0.39

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
SCHEMBL5573402 0.85 ESR2 (0.54) ESR2MMEFFAR1AKR1B1PTPN5
SCHEMBL27955134 0.83 ESR2 (0.57) ESR2MMEFFAR1AKR1B1PTPN5
SCHEMBL1713 0.80 ESR2 (0.67) ESR2MMEFFAR1AKR1B1PTPN5
SCHEMBL31410710 0.79 ESR2 (0.76) ESR2FFAR1AKR1B1PTPN5GSK3B
SCHEMBL31772593 0.79 ESR2 (0.59) ESR2MMEFFAR1AKR1B1PTPN5
SCHEMBL360601 0.79 ESR2 (0.59) ESR2MMEFFAR1AKR1B1PTPN5
SCHEMBL357 0.79 ESR2 (0.59) ESR2MMEFFAR1AKR1B1PTPN5
SCHEMBL31124937 0.79 ESR2 (0.59) ESR2MMEFFAR1AKR1B1PTPN5
SCHEMBL7867991 0.79 ESR2 (0.59) ESR2MMEFFAR1AKR1B1PTPN5
SCHEMBL9542596 0.79 ESR2 (0.59) ESR2MMEFFAR1AKR1B1PTPN5

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
EP-0424317-A2 Pyrimidines CIBA-GEIGY AG (CH) 1991-04-24 EP disclosed