SCHEMBL8747159

SCHEMBL8747159

COc1cc2c(cc1OCc1ccccc1)C(C1(c3ccsc3C)CCC1)NC=C2

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
CISD1 Q9NZ45 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRNA7 P36544 1/20 0.34

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
SCHEMBL8747158 0.83 MEN1 (0.36) SIRT2MEN1KMT2ACISD1SMN1; SMN2
SCHEMBL8747338 0.82 PKM (0.44) MEN1KMT2ACHRNA7
SCHEMBL8747181 0.77 CHRNA7 (0.48) CHRNA7
SCHEMBL17375771 0.71 NPC1 (0.42) SIRT2MEN1KMT2ASMN1; SMN2CHRNA7
SCHEMBL8747275 0.67 KDM4E (0.45) MEN1KMT2ASMN1; SMN2CHRNA7
SCHEMBL8747147 0.66 PKM (0.46) MEN1KMT2ACHRNA7
SCHEMBL8747329 0.65 PKM (0.45) MEN1KMT2ACHRNA7
SCHEMBL8746992 0.62 MEN1 (0.46) MEN1KMT2ACHRNA7
SCHEMBL27676065 0.61 L3MBTL1 (0.56) MEN1KMT2ASMN1; SMN2
SCHEMBL8556952 0.59 MEN1 (0.60) MEN1KMT2ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0618900-B1 SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS KNOLL AG (DE) 1997-03-12 EP disclosed
US-5519034-A ANALGESICS THE BOOTS COMPANY PLC (GB) 1996-05-21 US disclosed
EP-0618900-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS. BOOTS CO PLC (GB) 1994-10-12 EP disclosed
WO-1993013073-A1 SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1993-07-08 WO disclosed