SCHEMBL18320648

SCHEMBL18320648

O=C(NCCCl)OC1c2ccccc2-c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
MAPT P10636 1/20 0.36
BCHE P06276 2/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A3 O75751 1/20 0.35
ACHE P22303 1/20 0.35
PPIA P62937 2/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL18321016 0.86 KMT2A (0.43) KMT2APOLBHDAC3HDAC4HDAC7
SCHEMBL17037312 0.79 KMT2A (0.43) KMT2APOLBHDAC3HDAC4HDAC7
SCHEMBL18328191 0.79 KMT2A (0.66) KMT2AEPHX2
SCHEMBL1491692 0.79 KMT2A (0.69) KMT2AHDAC6
SCHEMBL7716498 0.77 PSEN1 (0.41) KMT2APOLBHDAC3HDAC4HDAC7
SCHEMBL16652777 0.76 POLB (0.39) KMT2APOLB
SCHEMBL3405393 0.75 POLB (0.50) KMT2APOLBHDAC3HDAC4HDAC7
SCHEMBL9715046 0.75 POLB (0.46) KMT2APOLBHDAC3HDAC4HDAC7
SCHEMBL28766993 0.74 BCHE (0.50) HDAC3BCHEPPIAEPHX2
Hydrochloric Acid SCHEMBL29012771 0.73 POLB (0.49) KMT2APOLBHDAC3HDAC4HDAC7

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-2016202894-A1 METHOD OF CONVERTING ALCOHOL TO HALIDE UNIVERSITAET DES SAARLANDES (DE) 2016-12-22 WO disclosed