SCHEMBL9664841

SCHEMBL9664841

[CH2]c1ccccc1C(Cl)(Cl)NC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
LMNA P02545 3/20 0.41
HDAC3 O15379 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
IDO1 P14902 1/20 0.41
ALOX15 P16050 1/20 0.41
HDAC1 Q13547 1/20 0.41
CA9 Q16790 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
RAB9A P51151 3/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39

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
SCHEMBL11570784 0.74 POLB (0.50) POLBLMNAHDAC3CA12CA1
SCHEMBL10616144 0.74 HDAC3 (0.54) POLBLMNAHDAC3CA12CA1
SCHEMBL9491963 0.72 HDAC3 (0.52) POLBLMNAHDAC3CA12CA1
SCHEMBL28646933 0.69 ALOX15 (0.58) POLBHDAC3CA12CA1IDO1
SCHEMBL9561167 0.68 POLB (0.47) POLBLMNAHDAC3CA12CA1
SCHEMBL7525213 0.68 POLB (0.51) POLBLMNAHDAC3CA12CA1
SCHEMBL13416406 0.68 ALOX15 (0.56) POLBHDAC3CA12CA1IDO1
SCHEMBL1233442 0.67 POLB (0.59) POLBLMNAHDAC3CA12CA1
SCHEMBL408310 0.66 CYP2C9 (0.67) POLBLMNAHDAC3CA12CA1
SCHEMBL452998 0.66 ALOX15 (0.54) POLBHDAC3CA12CA1IDO1

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
EP-0485026-A2 Antimanic phenoxymethylene bisphosphonate derivatives MERCK SHARP & DOHME LTD. (GB) 1992-05-13 EP disclosed