SCHEMBL8551898

SCHEMBL8551898

Cc1c([N+](=O)[O-])cc2c(c1CN(C)C)[N]C(=O)C(=O)N2

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.31
CCR6 P51684 1/20 0.31
CYP1A2 P05177 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
SCHEMBL8548071 0.86 L3MBTL1 (0.34) MAPTCYP1A2
SCHEMBL3670052 0.83 RXFP1 (0.40) MAPT
SCHEMBL2903425 0.83 LMNA (0.32) MAPTCCR6CYP1A2
SCHEMBL3668017 0.82 CCR6 (0.36) MAPTCCR6CYP1A2
SCHEMBL3674251 0.79 TSHR (0.38) CCR6CYP1A2
SCHEMBL8608349 0.74 KMT2A (0.39) MAPTCYP1A2
SCHEMBL3668151 0.73 GPR35 (0.42) MAPTCYP1A2
SCHEMBL8113307 0.70 GRIN2D (0.42) CYP1A2
SCHEMBL8123057 0.69 ALDH1A1 (0.40) MAPTCYP1A2
SCHEMBL8123110 0.69 GRIN2D (0.33) MAPTCYP1A2

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
EP-0837854-A1 ALKYL AMINE DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-04-29 EP disclosed