SCHEMBL6690559

SCHEMBL6690559

O=C(c1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1Br)N1CCCN(CC2CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.45
PKM P14618 2/20 0.45
PKLR P30613 1/20 0.45
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
NR3C1 P04150 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL3054059 0.87 HTR6 (0.50) HTR6PKMPKLRALDH1A1MEN1
SCHEMBL3053691 0.85 LMNA (0.54) PKMPKLRALDH1A1KMT2ARAB9A
SCHEMBL6923902 0.85 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL3071207 0.78 L3MBTL1 (0.51) PKMPKLRKMT2ASMN1; SMN2TDP1
SCHEMBL3063905 0.75 ALDH1A1 (0.56) HTR6ALDH1A1MEN1KMT2APTGDR2
SCHEMBL3077251 0.73 ALDH1A1 (0.57) PKMALDH1A1RAB9ALMNAGAA
SCHEMBL7789916 0.73 KMT2A (0.75) PKMPKLRALDH1A1MEN1KMT2A
SCHEMBL6830931 0.73 KMT2A (0.48) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL6926084 0.72 POLB (0.56) PKMPKLRALDH1A1KMT2ARAB9A
SCHEMBL13729809 0.72 PKLR (0.47) HTR6PKMPKLRALDH1A1MEN1

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-2004074438-A2 CCR8 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 WO claimed