SCHEMBL6031741

SCHEMBL6031741

[CH2]c1cc(SCc2cc(SCc3ccc(SC(=O)N(C)C)cc3)cc(SCc3ccc(SC(=O)N(C)C)cc3)c2)cc(SCc2cc(SCc3ccc(SC(=O)N(C)C)cc3)cc(SCc3ccc(SC(=O)N(C)C)cc3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
HPGD P15428 4/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
RAB9A P51151 2/20 0.33
HTT P42858 1/20 0.33
DAO P14920 3/20 0.32
HDAC3 O15379 2/20 0.32
NCOR1 O75376 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL5574926 0.88 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL5574327 0.88 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL5571099 0.86 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL5574233 0.86 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL6032571 0.85 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL5575486 0.85 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL5574874 0.82 CYP1A2 (0.43) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL5575437 0.82 CYP1A2 (0.43) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL5574878 0.79 CYP1A2 (0.45) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL14511533 0.78 ALDH1A1 (0.34) ALDH1A1DAO

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
EP-1623953-A1 PROBE National Institute of Information and Communications Technology (JP) 2006-02-08 EP disclosed
EP-1621517-A1 METHOD OF BONDING MOLECULE AND MOLECULE BONDING APPARATUS National Institute of Information and Communications Technology (JP) 2006-02-01 EP disclosed