SCHEMBL3262923

SCHEMBL3262923

NC(=O)CCCCCC(=O)N(c1nc(-c2ccncc2)cs1)c1ccccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 7/20 0.44
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HDAC4 P56524 3/20 0.41
▸ MEF2D Q14814 2/20 0.41
▸ EP300 Q09472 1/20 0.40
▸ HDAC1 Q13547 4/20 0.39
▸ HDAC2 Q92769 4/20 0.39
▸ ROCK1 Q13464 4/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ HDAC3 O15379 3/20 0.39
▸ HDAC10 Q969S8 3/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ MAPK14 Q16539 1/20 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
SCHEMBL3235671 0.86 GRM1 (0.44) GRM1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL3240737 0.80 MAPK14 (0.48) GRM1MEN1ALDH1A1LMNAGAA
SCHEMBL1064934 0.76 HDAC3 (0.42) LMNAGAAMAPTHDAC4HDAC1
SCHEMBL3234078 0.76 HPGD (0.43) MEN1ALDH1A1LMNAGAAMAPT
SCHEMBL3238500 0.75 RAB9A (0.48) GRM1MEN1ALDH1A1LMNAMAPT
SCHEMBL3233744 0.75 KMT2A (0.47) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL3234299 0.73 RAB9A (0.48) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL3233951 0.72 HDAC3 (0.42) SMN1; SMN2HDAC4HDAC1HDAC2HDAC3
SCHEMBL3242812 0.72 ALDH1A1 (0.40) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL16369620 0.72 ALDH1A1 (0.40) MEN1ALDH1A1LMNAMAPTKMT2A

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-2010028193-A1 COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS REPLIGEN CORPORATION (US) 2010-03-11 — — WO disclosed
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