SCHEMBL16626643

SCHEMBL16626643

CNCc1cn([S+]([O-])c2ccc(OC(F)F)cc2)c2cc(-c3cncnc3)ccc12

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.35
NR1D1 P20393 1/20 0.34
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL19983774 0.90 BACE1 (0.34) BACE1NR1D1PRMT5WDR77GRIN1
SCHEMBL16626586 0.80 EPHX2 (0.38) NR1D1
SCHEMBL17971575 0.80 RORC (0.43) BACE1NR1D1
Hydrochloric Acid SCHEMBL16619474 0.79 RORC (0.42) BACE1NR1D1
SCHEMBL16626085 0.77 ROCK2 (0.36) GRIN1GRIN2B
SCHEMBL16626776 0.76 GRM5 (0.35) GRIN1GRIN2B
SCHEMBL16626779 0.73 RORC (0.50) BACE1NR1D1GRIN1GRIN2B
Hydrochloric Acid SCHEMBL16618992 0.72 RORC (0.49) BACE1NR1D1GRIN1GRIN2B
SCHEMBL16626590 0.71 L3MBTL1 (0.33) NR1D1
SCHEMBL16626086 0.68 GRIN2B (0.38) GRIN1GRIN2B

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-2015050412-A1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-04-09 WO disclosed