SCHEMBL11058817

SCHEMBL11058817

O=C1c2cc3ccc(C(F)(F)F)cc3nc2C=CC1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ PFKFB3 Q16875 1/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ ADRA2A P08913 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ ATM Q13315 1/20 0.31
▸ F7 P08709 1/20 0.31
▸ F3 P13726 1/20 0.31
▸ MCHR1 Q99705 2/20 0.31
▸ CTSD P07339 1/20 0.31
▸ TDP2 O95551 1/20 0.31
▸ METAP2 P50579 1/20 0.31
▸ CCNA2 P20248 1/20 0.30

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
SCHEMBL11059013 0.71 KDM4E (0.39) BACE1KDM4EHRH3PFKFB3PARP1
SCHEMBL28048966 0.68 BACE1 (0.38) BACE1KDM4EHRH3PARP1ADRA2A
SCHEMBL14661207 0.65 KDM4E (0.55) BACE1KDM4EPFKFB3PARP1DYRK1A
SCHEMBL12700128 0.64 ALDH1A1 (0.56) BACE1KDM4EPFKFB3PARP1F7
SCHEMBL11331470 0.63 TDP1 (0.37) KDM4EPKM
SCHEMBL11058519 0.62 KDM4E (0.51) BACE1KDM4EPFKFB3PKMMETAP2
SCHEMBL30369296 0.62 BACE1 (0.46) BACE1KDM4EPFKFB3PARP1DYRK1A
SCHEMBL22573215 0.62 BACE1 (0.46) BACE1KDM4EPFKFB3PARP1DYRK1A
SCHEMBL30485659 0.62 BACE1 (0.46) BACE1KDM4EPFKFB3PARP1DYRK1A
SCHEMBL28215693 0.60 HPGD (0.58) BACE1KDM4EHRH3ATMMETAP2

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
US-4474774-A Acridone substituted phosphorus compounds, compositions containing same and insecticidal method of use VELSICOL CHEMICAL CORPORATION (US) 1984-10-02 — — US disclosed
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