SCHEMBL19964834

SCHEMBL19964834

Nc1cnc(Br)cc1Nc1cccc(C(=O)Nc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 2/20 0.56
▸ DNMT1 P26358 2/20 0.51
▸ DNMT3A Q9Y6K1 2/20 0.51
▸ HDAC1 Q13547 2/20 0.50
▸ HDAC2 Q92769 2/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ ATR Q13535 1/20 0.47
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ CDC25B P30305 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ TP53 P04637 2/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ NCOR2 Q9Y618 1/20 0.45
▸ BRAF P15056 1/20 0.45
▸ KCNK3 O14649 1/20 0.44
▸ KCNK9 Q9NPC2 1/20 0.44

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
SCHEMBL19953780 0.83 RPS6KB1 (0.53) SIRT2HDAC1HDAC2HDAC8HDAC6
SCHEMBL4004912 0.80 MAPT (0.48) ATRKMT2AMEN1TP53
SCHEMBL15998541 0.76 HDAC1 (0.71) SIRT2HDAC1HDAC2HDAC8HDAC6
SCHEMBL7151866 0.74 KMT2A (0.73) SIRT2HDAC1HDAC2HDAC8HDAC6
SCHEMBL8940247 0.74 KCNK3 (0.72) SIRT2HDAC1HDAC2HDAC8HDAC6
SCHEMBL13335918 0.72 KMT2A (0.67) SIRT2DNMT1DNMT3AHDAC1HDAC2
SCHEMBL15238338 0.72 LMNA (0.62) HDAC1HDAC2HDAC8HDAC6ATR
SCHEMBL8374911 0.71 HDAC1 (0.85) HDAC1HDAC2HDAC8HDAC6KMT2A
SCHEMBL4560198 0.70 KDM4E (0.65) HDAC1HDAC2HDAC8HDAC6ATR
SCHEMBL3827286 0.70 HDAC1 (0.72) HDAC1HDAC2HDAC8HDAC6KMT2A

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-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 — — WO disclosed
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