SCHEMBL21399754

SCHEMBL21399754

COC1C(c2ccccc2)C(c2ccccc2)C(Br)C(c2ccccc2)C1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
KDM1A O60341 4/20 0.32
MAOA P21397 4/20 0.32
MAOB P27338 4/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HDAC4 P56524 2/20 0.31
CA4 P22748 1/20 0.31
ELANE P08246 1/20 0.31
EPHX1 P07099 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 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
SCHEMBL25947294 0.82 HDAC4 (0.39) KDM1AMAOAMAOBHDAC4HDAC3
SCHEMBL25947422 0.82 HDAC4 (0.39) KDM1AMAOAMAOBHDAC4HDAC3
SCHEMBL25334909 0.82 HDAC4 (0.39) KDM1AMAOAMAOBHDAC4HDAC3
SCHEMBL21399752 0.81 POLB (0.39) POLBKDM1AMAOAMAOBCA4
SCHEMBL24605748 0.65 MAOB (0.34) POLBKDM1AMAOAMAOBL3MBTL1
SCHEMBL11714231 0.65 MAOA (0.34) POLBKDM1AMAOAMAOBL3MBTL1
SCHEMBL2031804 0.65 HDAC4 (0.46) KDM1AMAOAMAOBHDAC4HDAC3
SCHEMBL27929404 0.65 HDAC4 (0.46) KDM1AMAOAMAOBHDAC4HDAC3
SCHEMBL31041077 0.65 HDAC4 (0.46) KDM1AMAOAMAOBHDAC4HDAC3
SCHEMBL11623664 0.64 ELANE (0.42) KDM1AMAOAMAOBELANE

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
WO-2019180230-A1 TETRAPHENYLPHENOXY TUNGSTEN OXO ALKYLIDENE COMPLEXES, METHODS OF MAKING SAME AND USE THEREOF XIMO AG (CH) 2019-09-26 WO disclosed