SCHEMBL16626776

SCHEMBL16626776

CNCc1cn([S+]([O-])c2cccc(OC(F)F)c2)c2cc(-c3cnc(F)c(C)c3)ccc12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.35
GRIN2B Q13224 9/20 0.34
GRIN1 Q05586 7/20 0.34
METAP2 P50579 1/20 0.34
CFD P00746 1/20 0.33
PIK3CB P42338 1/20 0.31
PRKDC P78527 1/20 0.31
ATR Q13535 1/20 0.31
ATRIP Q8WXE1 1/20 0.31
RXRA P19793 2/20 0.31
TNIK Q9UKE5 1/20 0.31
WNK1 Q9H4A3 1/20 0.31
RORC P51449 1/20 0.30
KCNH2 Q12809 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
SCHEMBL16626085 0.86 ROCK2 (0.36) GRM5GRIN2BGRIN1RXRAWNK1
SCHEMBL19983774 0.86 BACE1 (0.34) GRIN2BGRIN1CFDRXRARORC
SCHEMBL16626086 0.83 GRIN2B (0.38) GRM5GRIN2BGRIN1METAP2PIK3CB
SCHEMBL17971574 0.79 RORC (0.49) GRM5GRIN2BGRIN1METAP2CFD
Hydrochloric Acid SCHEMBL16618537 0.79 RORC (0.48) GRM5GRIN2BGRIN1METAP2CFD
SCHEMBL16626643 0.76 BACE1 (0.35) GRIN2BGRIN1
SCHEMBL16626590 0.70 L3MBTL1 (0.33)
SCHEMBL16626586 0.68 EPHX2 (0.38) METAP2
SCHEMBL19984032 0.66 GRIN2B (0.39) GRM5GRIN2BGRIN1METAP2PIK3CB
SCHEMBL16626780 0.66 RORC (0.48) GRIN2BGRIN1RXRARORC

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