SCHEMBL3236799

SCHEMBL3236799

NC(=O)CCCCCC(=O)N(c1nc2ccccc2s1)c1ccc(F)cc1N

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.44
▸ HPGD P15428 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ RAD52 P43351 1/20 0.42
▸ HTT P42858 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HDAC1 Q13547 3/20 0.38
▸ POLB P06746 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36

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
SCHEMBL3234078 0.87 HPGD (0.43) LMNAHPGDGAAKDM4EKMT2A
SCHEMBL3241080 0.80 MPO (0.40) GAAHDAC1
SCHEMBL3240737 0.78 MAPK14 (0.48) LMNAGAAKMT2AALDH1A1HDAC1
SCHEMBL3241850 0.78 HDAC1 (0.34) KDM4EHDAC1NPC1RAB9A
SCHEMBL3233610 0.78 KDM4E (0.38) LMNAGAAKDM4EALDH1A1HDAC1
SCHEMBL3230365 0.77 HDAC1 (0.43) LMNAHPGDKMT2AALDH1A1HDAC1
SCHEMBL3238619 0.77 KDM4E (0.34) LMNAKDM4EALDH1A1HDAC1
SCHEMBL3235671 0.77 GRM1 (0.44) KMT2AHDAC1POLBMEN1NPC1
SCHEMBL3230345 0.76 MLYCD (0.35) HDAC1
SCHEMBL3227664 0.76 HDAC1 (0.32) HDAC1

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
Send feedback