SCHEMBL5728218

SCHEMBL5728218

COC(=O)Oc1cc(Br)sc1N(C(=O)[C@H]1CC[C@H](C)CC1)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CUL4A Q13619 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5728226 0.91
SCHEMBL5436173 0.84 OPRK1 (0.35) KMT2A
SCHEMBL5436177 0.84 OPRK1 (0.35) KMT2A
SCHEMBL6102735 0.82
SCHEMBL5728027 0.82 GABRA1 (0.32)
SCHEMBL6111385 0.81 IKBKB (0.34)
SCHEMBL5728445 0.81
SCHEMBL6111129 0.80 CUL4A (0.32) CUL4A
SCHEMBL5731703 0.80 KCNB1 (0.34) SMN1; SMN2MEN1KMT2A
SCHEMBL5731448 0.80 ALDH1A1 (0.33) SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694665-A2 SUBSTITUTED THIOPHENES AiCuris GmbH & Co. KG (DE) 2006-08-30 EP disclosed
WO-2006072348-A2 ALKINYL-SUBSTITUTED THIOPHENES AICURIS GMBH & CO. KG (DE) 2006-07-13 WO disclosed
WO-2005063734-A2 SUBSTITUTED THIOPHENES AICURIS GMBH & CO. KG (DE) 2005-07-14 WO disclosed