SCHEMBL7438587

SCHEMBL7438587

CC(=O)C(Br)CCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
HDAC1 Q13547 5/20 0.48
HDAC7 Q8WUI4 5/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CHRM2 P08172 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL13686537 0.95 HDAC1 (0.53) HDAC1HDAC7HDAC8HDAC3HDAC4
SCHEMBL30852760 0.91 ALDH1A1 (0.50) NPC1KMT2A
SCHEMBL1435917 0.91 ALDH1A1 (0.50) NPC1KMT2A
SCHEMBL6954199 0.86 HDAC7 (0.52) HDAC1HDAC7HDAC8HDAC3HDAC4
SCHEMBL3359985 0.86 HDAC7 (0.52) HDAC1HDAC7HDAC8HDAC3HDAC4
SCHEMBL7898753 0.86 HDAC7 (0.52) HDAC1HDAC7HDAC8HDAC3HDAC4
SCHEMBL13691920 0.85 HDAC1 (0.48) HDAC1HDAC7HDAC8HDAC3HDAC4
SCHEMBL9456474 0.82 ALDH1A1 (0.54) MEN1KMT2A
SCHEMBL6966437 0.82 HDAC1 (0.58) HDAC1HDAC7HDAC8HDAC3HDAC4
SCHEMBL6510657 0.82 HDAC1 (0.58) HDAC1HDAC7HDAC8HDAC3HDAC4

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-0511271-A1 THIAZOLE DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1992-11-04 EP disclosed
EP-0511270-A1 NEW THIAZOLE DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1992-11-04 EP disclosed
WO-1991010656-A1 THIAZOLE DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1991-07-25 WO disclosed
WO-1991010657-A1 NEW THIAZOLE DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1991-07-25 WO disclosed