SCHEMBL30802470

SCHEMBL30802470

Fc1ccc(CNC2CC(F)(F)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
BACE1 P56817 2/20 0.48
KDM1A O60341 2/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
SSTR3 P32745 1/20 0.40

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
SCHEMBL22411271 0.83 GRIN2B (0.53) BCHEACHEBACE1KDM1AMAOA
SCHEMBL1239998 0.80 BCHE (0.61) BCHEACHEBACE1KDM1AMAOA
SCHEMBL20795301 0.80 ALDH1A1 (0.46) BCHEACHEBACE1KDM1AMAOA
SCHEMBL2645047 0.77 HRH3 (0.69) BCHEACHEBACE1ALDH1A1NPSR1
SCHEMBL5460896 0.77 HRH3 (0.63) BCHEACHEBACE1KDM1AMAOA
SCHEMBL1042778 0.76 HRH3 (0.72) BCHEACHEBACE1ALDH1A1HRH3
SCHEMBL24619072 0.73 BCHE (0.54) BCHEACHEBACE1MEN1KMT2A
SCHEMBL5358070 0.73 GRIN2B (0.58) BCHEACHEBACE1KDM1AMAOA
SCHEMBL17605614 0.73 BCHE (0.54) BCHEACHEBACE1KDM1AMAOA
SCHEMBL3355681 0.73 BCHE (0.54) BCHEACHEBACE1KDM1AMAOA

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-117561244-A Isoindolinone compounds and uses thereof 杭州格博生物医药有限公司 2024-02-13 CN disclosed