SCHEMBL4745826

SCHEMBL4745826

CC(C)(C)OC(=O)Nc1cc(Br)cc2c1C(O)N(Cc1ccc(F)cc1F)C2=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.35
AKR1B1 P15121 1/20 0.35
PTGER1 P34995 2/20 0.33
KCNQ4 P56696 1/20 0.33
KCNQ5 Q9NR82 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AGTR1 P30556 4/20 0.33
AGTR2 P50052 4/20 0.33
RIPK3 Q9Y572 2/20 0.33
SCN9A Q15858 1/20 0.32
P2RX3 P56373 1/20 0.32
TBXA2R P21731 1/20 0.32

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
SCHEMBL4745710 0.86 KCNA5 (0.35) KCNA5AKR1B1KCNQ4KCNQ5AAK1
SCHEMBL4746002 0.81 AKR1B1 (0.40) AKR1B1PTGER1KCNQ4KCNQ5AAK1
SCHEMBL23985264 0.73 MAPT (0.39) KCNQ4KCNQ5ALDH1A1P2RX3
SCHEMBL4749155 0.69 AAK1 (0.36) KCNQ4KCNQ5AAK1P2RX3
SCHEMBL4749154 0.69 AAK1 (0.36) KCNQ4KCNQ5AAK1P2RX3
SCHEMBL857284 0.67 HTT (0.55) KCNQ4KCNQ5ALDH1A1
SCHEMBL22941300 0.67 KCNQ4 (0.47) KCNQ4KCNQ5AAK1
SCHEMBL12791296 0.67 P2RX7 (0.46) KCNA5
SCHEMBL4301168 0.65 AAK1 (0.50) KCNQ4KCNQ5AAK1ALDH1A1
SCHEMBL197145 0.65 HDAC1 (0.55) KCNQ4KCNQ5AAK1

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