SCHEMBL11454422

SCHEMBL11454422

COC(=O)C(C)Oc1ccc(Nc2ncc(Br)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 5/20 0.50
▸ HDAC1 Q13547 5/20 0.50
▸ HDAC2 Q92769 5/20 0.50
▸ HDAC6 Q9UBN7 5/20 0.50
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ NTRK2 Q16620 1/20 0.43
▸ SYK P43405 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ALDH2 P05091 1/20 0.38

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
SCHEMBL11471867 0.88 HDAC6 (0.48) HDAC3HDAC1HDAC2HDAC6LMNA
SCHEMBL11463275 0.87 KMT2A (0.49) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL11460277 0.82 L3MBTL1 (0.45) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL21130651 0.78 LMNA (0.55) KMT2AMAPTMEN1L3MBTL1LMNA
SCHEMBL1676660 0.78 LMNA (0.55) KMT2AMAPTMEN1L3MBTL1LMNA
SCHEMBL11429228 0.77 MAPT (0.50) KMT2AMAPTMEN1L3MBTL1LMNA
SCHEMBL11455099 0.77 KMT2A (0.42) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL11461135 0.77 HDAC3 (0.63) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL8686574 0.76 MAPT (0.49) KMT2AMAPTMEN1L3MBTL1LMNA
SCHEMBL4250581 0.76 KMT2A (0.58) KMT2AMAPTMEN1L3MBTL1LMNA

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-0013143-A2 Substituted anilinopyrimidines, compositions and use thereof as herbicides, processes for their preparation and intermediates for use therein ICI AUSTRALIA LIMITED (AU) 1980-07-09 — — EP disclosed
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