SCHEMBL5570577

SCHEMBL5570577

CCCN1Cc2ccccc2C1(SCc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
MDM2 Q00987 4/20 0.37
KIF11 P52732 1/20 0.36
CCR3 P51677 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4913985 0.74 MDM2 (0.61) MDM2
SCHEMBL4913982 0.74 MDM2 (0.61) MDM2
SCHEMBL12083976 0.69 MDM2 (0.54) MDM2ALDH1A1
SCHEMBL5569403 0.68 OPRM1 (0.50) OPRM1SIGMAR1MEN1ALDH1A1KMT2A
SCHEMBL5573072 0.67 OPRM1 (0.51) OPRM1MDM2SIGMAR1
SCHEMBL4912405 0.66 MDM2 (0.62) MDM2ALDH1A1
SCHEMBL4912401 0.66 MDM2 (0.62) MDM2ALDH1A1
SCHEMBL5573856 0.63 HTT (0.41) OPRM1MDM2SIGMAR1
SCHEMBL9037683 0.62 SIGMAR1 (0.49) OPRM1SIGMAR1
SCHEMBL5247617 0.62 SLC6A2 (0.40) OPRM1

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-1786773-A1 ISOINDOLIN-1-ONE DERIVATIVES Cancer Research Technology Limited (GB) 2007-05-23 EP disclosed
WO-2006024837-A1 ISOINDOLIN-1-ONE DERIVATIVES CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-03-09 WO disclosed