SCHEMBL5569403

SCHEMBL5569403

CCCN1Cc2ccccc2C1(Cl)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.50
SIGMAR1 Q99720 5/20 0.35
EBP Q15125 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 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
SCHEMBL5573077 0.81 SIGMAR1 (0.41) OPRM1SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL5573072 0.80 OPRM1 (0.51) OPRM1SIGMAR1EBP
SCHEMBL9037683 0.72 SIGMAR1 (0.49) OPRM1SIGMAR1EBP
SCHEMBL9040998 0.71 SIGMAR1 (0.47) OPRM1SIGMAR1EBP
SCHEMBL9040061 0.71 SIGMAR1 (0.50) OPRM1SIGMAR1EBP
SCHEMBL5573856 0.70 HTT (0.41) OPRM1SIGMAR1EBP
SCHEMBL5570577 0.68 OPRM1 (0.38) OPRM1SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL4910329 0.66 MDM2 (0.58) ALDH1A1CYP2D6
SCHEMBL4910331 0.66 MDM2 (0.58) ALDH1A1CYP2D6
SCHEMBL4025928 0.65 SIGMAR1 (0.45) OPRM1SIGMAR1MEN1KMT2A

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