SCHEMBL5665232

SCHEMBL5665232

C[N+]1(C)c2ccccc2C(C2c3ccccc3Nc3ccccc32)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 11/20 0.36
TSHR P16473 1/20 0.33
IDO1 P14902 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
EGFR P00533 1/20 0.30
ALOX5 P09917 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
SCHEMBL6333376 0.81 GAA (0.43) HTR5ATSHRIDO1GAAMAPT
SCHEMBL1393224 0.77 GAA (0.40) GAAMAPTALDH1A1ALOX5
SCHEMBL20385185 0.68 HTR5A (0.48) HTR5ATSHRGAAMAPTALOX5
SCHEMBL13366003 0.68 HTR5A (0.48) HTR5ATSHRGAAMAPTALOX5
SCHEMBL31474673 0.68 HTR5A (0.48) HTR5ATSHRGAAMAPTALOX5
SCHEMBL9899738 0.64 IDO1 (0.53) IDO1GAAMAPTALDH1A1
SCHEMBL11897102 0.64 EGFR (0.50) HTR5ATSHRIDO1MAPTALDH1A1
SCHEMBL28864154 0.63 GAA (0.40) HTR5ATSHRIDO1GAAMAPT
SCHEMBL28412785 0.63 MAOA (0.46) HTR5ATSHRIDO1GAAMAPT
SCHEMBL31589753 0.63 ALDH1A1 (0.41) HTR5ATSHRIDO1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254252-A4 NOVEL STABILIZED FORMULATIONS FOR CHEMILUMINESCENT ASSAYS GIRI BRIJ P (US) 2006-06-07 EP claimed
WO-2001055446-A1 NOVEL STABILIZED FORMULATIONS FOR CHEMILUMINESCENT ASSAYS GIRI BRIJ PAL (US) 2001-08-02 WO claimed