SCHEMBL4611770

SCHEMBL4611770

NOC(=O)CCCCCC(c1cc2ccccc2[nH]1)c1c[nH]c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.54
HDAC1 Q13547 4/20 0.54
HDAC2 Q92769 4/20 0.54
HDAC10 Q969S8 4/20 0.54
HDAC8 Q9BY41 4/20 0.54
HDAC9 Q9UKV0 4/20 0.54
HDAC5 Q9UQL6 4/20 0.54
HDAC4 P56524 3/20 0.54
HDAC7 Q8WUI4 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
HDAC11 Q96DB2 2/20 0.54
MGAM O43451 9/20 0.42
GAA P10253 9/20 0.42
SI P14410 9/20 0.42
MGAM2 Q2M2H8 9/20 0.42
GPR84 Q9NQS5 2/20 0.41
FFAR1 O14842 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 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
SCHEMBL27722998 0.89 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC10HDAC8
Hydroxyamine SCHEMBL1326622 0.89 HDAC3 (0.57) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL1305750 0.86 HDAC1 (0.76) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL1305474 0.75 HDAC3 (0.65) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL1306240 0.75 HDAC3 (0.65) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL1305729 0.75 HDAC3 (0.76) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL1308378 0.75 HDAC3 (0.76) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL1306606 0.74 HDAC3 (0.63) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL1307627 0.73 HDAC3 (0.74) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL1308462 0.72 HDAC3 (0.64) HDAC3HDAC1HDAC2HDAC10HDAC8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891007-A1 INDOLE DERIVATIVES HAVING ANTITUMOR ACTIVITY SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2008-02-27 EP claimed
WO-2006131484-A1 INDOLE DERIVATIVES HAVING ANTITUMOR ACTIVITY SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-12-14 WO claimed
EP-1891007-A1 INDOLE DERIVATIVES HAVING ANTITUMOR ACTIVITY SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2008-02-27 EP disclosed
WO-2006131484-A1 INDOLE DERIVATIVES HAVING ANTITUMOR ACTIVITY SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-12-14 WO disclosed