SCHEMBL4749291

SCHEMBL4749291

O=C1C=CC(=O)N1Cc1ccc(Cl)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MGLL Q99685 2/20 0.50
FAAH O00519 1/20 0.50
POLB P06746 1/20 0.50
CYP2A13 Q16696 1/20 0.47
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
IDO1 P14902 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL7563897 0.81 CA12 (0.51) CA12CA1CA2CA9LMNA
SCHEMBL11841629 0.77 CA12 (0.51) CA12CA1CA2CA9LMNA
SCHEMBL11081773 0.77 MAPT (0.58) CA12CA1CA2CA9LMNA
SCHEMBL4802311 0.77 PTGS1 (0.61) LMNASMN1; SMN2MGLLFAAHPOLB
SCHEMBL18974316 0.75 CES1 (0.67) CA12CA1CA2CA9LMNA
SCHEMBL30774282 0.75 CES1 (0.67) CA12CA1CA2CA9LMNA
SCHEMBL7218376 0.74 MGLL (0.82) CA12CA1CA2CA9MGLL
SCHEMBL5468385 0.74 GSK3A (0.54) CA12CA1CA2CA9LMNA
SCHEMBL8144393 0.72 PTPN1 (0.48) CA12CA1CA2CA9POLB
SCHEMBL2179428 0.71 DBH (0.53) LMNASMN1; SMN2CYP2A13NPC1HTT

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
WO-2008124518-A1 OXO-DIHYDROISOINDOLE SULFONAMIDE COMPOUNDS AS MODULATORS OF THE CCK2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-16 WO disclosed
US-20060142487-A1 Process for the production of a transparent rubber-modified monovinylidene aromatic resin CHI-MEI CORPORATION (TW) 2006-06-29 US disclosed
US-20040230003-A1 Transparent rubber-modified monovinylidene aromatic resin CHI MEI CORPORATION (TW) 2004-11-18 US disclosed