SCHEMBL8133241

SCHEMBL8133241

CN1CCc2c(-c3ccc(S(=O)(=O)N(C)C)cc3)cc3c(c2C1)NC(=O)/C3=N\O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.43
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
JAK2 O60674 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
SCHEMBL4393716 1.00 HTR6 (0.43) HTR6GRIA1GRIA2GRIA3GRIA4
SCHEMBL4401527 1.00 HTR6 (0.43) HTR6GRIA1GRIA2GRIA3GRIA4
SCHEMBL8126480 0.90 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL8126477 0.90 GRIA1 (0.38) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL8134971 0.90 ALDH1A1 (0.43) GRIA1GRIA2GRIA3GRIA4MEN1
SCHEMBL8134966 0.90 ALDH1A1 (0.43) GRIA1GRIA2GRIA3GRIA4MEN1
SCHEMBL8125744 0.89 KMT2A (0.39) HTR6GRIA1GRIA2GRIA3GRIA4
SCHEMBL8125747 0.89 KMT2A (0.39) HTR6GRIA1GRIA2GRIA3GRIA4
SCHEMBL8134328 0.89 ALDH1A1 (0.36) HTR6GRIA1GRIA2GRIA3GRIA4
SCHEMBL8134340 0.89 ALDH1A1 (0.36) HTR6GRIA1GRIA2GRIA3GRIA4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0781285-B1 FUSED INDOLE AND QUINOXALINE DERIVATIVES, THEIR PREPARATION AND USE AS GLUTAMATE ANTAGONISTS NEUROSEARCH AS (DK) 2000-01-12 EP claimed
EP-0781285-B1 FUSED INDOLE AND QUINOXALINE DERIVATIVES, THEIR PREPARATION AND USE AS GLUTAMATE ANTAGONISTS NEUROSEARCH AS (DK) 2000-01-12 EP disclosed
WO-1996008495-A1 FUSED INDOLE AND QUINOXALINE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1996-03-21 WO disclosed