SCHEMBL7969534

SCHEMBL7969534

ONC[C@@H]1[C@@H](c2ccccc2)C1(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.59
HTR2C P28335 2/20 0.59
HTR2B P41595 2/20 0.59
HDAC4 P56524 9/20 0.34
HDAC3 O15379 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
HDAC1 Q13547 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
ABCB1 P08183 3/20 0.33
THRB P10828 1/20 0.33
IDO1 P14902 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL9191563 1.00 HTR2A (0.59) HTR2AHTR2CHTR2BHDAC4HDAC3
SCHEMBL9191573 1.00 HTR2A (0.59) HTR2AHTR2CHTR2BHDAC4HDAC3
SCHEMBL9381062 0.79 HTR2A (0.66) HTR2AHTR2CHTR2BHDAC4HDAC3
SCHEMBL9381070 0.79 HTR2A (0.66) HTR2AHTR2CHTR2BHDAC4HDAC3
SCHEMBL9381065 0.79 HTR2A (0.66) HTR2AHTR2CHTR2BHDAC4HDAC3
SCHEMBL7971060 0.78 HTT (0.39) HTR2AHTR2CHTR2BABCB1THRB
SCHEMBL7971050 0.78 HTT (0.39) HTR2AHTR2CHTR2BABCB1THRB
SCHEMBL7971053 0.78 HTT (0.39) HTR2AHTR2CHTR2BABCB1THRB
SCHEMBL8294601 0.75 HTR2A (0.66) HTR2AHTR2CHTR2BABCB1MEN1
SCHEMBL4436188 0.75 HTR2C (1.00) HTR2AHTR2CHTR2BSLC6A4

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
US-6291520-B1 INHIBIT THE ENZYME LIPOXYGENASE; TREATMENT OR ALLEVIATION OF INFLAMMATORY DISEASES, ALLERGIC CONDITIONS AND CARDIOVASCULAR DISEASES PFIZER 2001-09-18 US disclosed
EP-0559743-B1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE PFIZER (US) 1995-03-08 EP disclosed