SCHEMBL6823656

SCHEMBL6823656

NCCCC(=O)c1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.61
HDAC8 Q9BY41 4/20 0.61
GSK3B P49841 2/20 0.55
HDAC3 O15379 2/20 0.54
HDAC4 P56524 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC10 Q969S8 2/20 0.54
HDAC11 Q96DB2 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC9 Q9UKV0 2/20 0.54
HDAC5 Q9UQL6 2/20 0.54
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
OGG1 O15527 1/20 0.48
HSD11B1 P28845 1/20 0.47

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
SCHEMBL6824562 0.94 HDAC1 (0.64) HDAC1HDAC8GSK3BHDAC3HDAC4
SCHEMBL19253754 0.92 HDAC8 (0.67) HDAC1HDAC8GSK3BHDAC3HDAC4
SCHEMBL20799581 0.88 GSK3B (0.59) HDAC1HDAC8GSK3BHDAC3HDAC4
SCHEMBL133319 0.87 HDAC1 (0.75) HDAC1HDAC8GSK3BHDAC3HDAC4
SCHEMBL28761395 0.84 HDAC1 (0.61) HDAC1HDAC8GSK3BHDAC3HDAC4
SCHEMBL2626830 0.84 HDAC1 (0.61) HDAC1HDAC8GSK3BHDAC3HDAC4
SCHEMBL241664 0.83 GSK3B (0.70) HDAC1HDAC8GSK3BHDAC3HDAC4
SCHEMBL16098930 0.82 HDAC1 (0.62) HDAC1HDAC8GSK3BHDAC3HDAC4
SCHEMBL11280840 0.82 GSK3B (0.63) HDAC1HDAC8GSK3BHDAC3HDAC4
SCHEMBL10789860 0.82 NPC1 (0.52) HDAC1HDAC8HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004041781-A1 PREPARATION OF 3-AMINOALKYL-SUBSTITUTED INDOLE DERIVATIVES FROM PHENYLHYDRAZINES AND AMINOKETONES SUVEN LIFE SCIENCES LIMITED (IN) 2004-05-21 WO claimed
WO-2004041781-A1 PREPARATION OF 3-AMINOALKYL-SUBSTITUTED INDOLE DERIVATIVES FROM PHENYLHYDRAZINES AND AMINOKETONES SUVEN LIFE SCIENCES LIMITED (IN) 2004-05-21 WO disclosed