SCHEMBL4749154

SCHEMBL4749154

CC(c1ccc(F)cc1F)N1C(=O)c2cc(Br)cc(NC(=O)OC(C)(C)C)c2C1=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 12/20 0.36
KDM4D Q6B0I6 1/20 0.34
MAPT P10636 1/20 0.33
P2RX3 P56373 2/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
CYP17A1 P05093 1/20 0.32
RECQL P46063 1/20 0.31

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
SCHEMBL4749155 1.00 AAK1 (0.36) AAK1KDM4DMAPTP2RX3KCNQ4
SCHEMBL4746002 0.79 AKR1B1 (0.40) AAK1KCNQ4KCNQ5
SCHEMBL4746538 0.77 IDO1 (0.34)
SCHEMBL4746540 0.77 IDO1 (0.34)
SCHEMBL3750954 0.70 RORC (0.37) AAK1
SCHEMBL3750959 0.70 RORC (0.37) AAK1
SCHEMBL4745826 0.69 KCNA5 (0.35) AAK1P2RX3KCNQ4KCNQ5
SCHEMBL4745710 0.69 KCNA5 (0.35) AAK1P2RX3KCNQ4KCNQ5
SCHEMBL857284 0.68 HTT (0.55) MAPTKCNQ4KCNQ5CYP17A1
SCHEMBL15837143 0.67 UTS2R (0.43) KDM4DMAPT

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 1 patent. 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