SCHEMBL6923902

SCHEMBL6923902

COc1ccc(S(=O)(=O)Nc2ccc(Br)c(C(=O)N3CCCN(CC4CC4)CC3)c2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.43

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
SCHEMBL6830931 0.88 KMT2A (0.48) ALDH1A1LMNAGAAL3MBTL1SMN1; SMN2
SCHEMBL3066507 0.87 KMT2A (0.47) ALDH1A1LMNAGAAL3MBTL1SMN1; SMN2
SCHEMBL6926861 0.86 KMT2A (0.46) ALDH1A1LMNAGAAL3MBTL1SMN1; SMN2
SCHEMBL6690559 0.85 HTR6 (0.45) ALDH1A1LMNAGAAL3MBTL1SMN1; SMN2
SCHEMBL6925065 0.85 ALDH1A1 (0.57) ALDH1A1LMNAGAAL3MBTL1SMN1; SMN2
SCHEMBL6827869 0.82 ALDH1A1 (0.57) ALDH1A1LMNAGAASMN1; SMN2HTT
SCHEMBL6924661 0.82 LMNA (0.57) ALDH1A1LMNASMN1; SMN2NPC1KMT2A
SCHEMBL3061795 0.79 ALDH1A1 (0.56) ALDH1A1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL6932063 0.79 LMNA (0.44) ALDH1A1LMNASMN1; SMN2HTTKMT2A
SCHEMBL6830792 0.78 ALDH1A1 (0.59) ALDH1A1LMNAGAAL3MBTL1SMN1; SMN2

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-2004073619-A2 CCR8 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 WO claimed