SCHEMBL8624680

SCHEMBL8624680

CN1CCN(c2cc(NS(=O)(=O)Cc3ccccc3)c(Cl)c(-c3ccccc3Cl)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.40
GALR3 O60755 1/20 0.40
SIRT6 Q8N6T7 1/20 0.39
HTR6 P50406 8/20 0.39
RORC P51449 3/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL8625789 0.89 BRD4 (0.43) GAAL3MBTL1ALDH1A1HTR6
SCHEMBL8625881 0.87 BRD4 (0.45) GAAALDH1A1HTR6
SCHEMBL8624803 0.85 ALDH1A1 (0.44) ALDH1A1HTR6
SCHEMBL8625656 0.85 PGAM1 (0.41) ALDH1A1
SCHEMBL8628033 0.82 ALDH1A1 (0.42) ALDH1A1HTR6HTR2A
SCHEMBL8624822 0.80 BRD4 (0.44) GAAL3MBTL1ALDH1A1HTR6
SCHEMBL8626684 0.80 CHRNA7 (0.41)
SCHEMBL8624802 0.78 KDM2B (0.39)
SCHEMBL8624605 0.78 BRD4 (0.47) GAAL3MBTL1ALDH1A1
SCHEMBL8628563 0.76 BRD4 (0.42)

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
US-5849912-A Biphenyl derivatives EISAI CO., LTD. (JP) 1998-12-15 US disclosed