SCHEMBL3129333

SCHEMBL3129333

C=Cc1cccc2c1C(=O)N([Si](C)(C)C)C2=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
ALDH1A1 P00352 1/20 0.32
DPP4 P27487 1/20 0.30
ESR2 Q92731 1/20 0.30
BRD4 O60885 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
SCHEMBL3119920 0.85 DRD2 (0.32) DRD2
SCHEMBL3123346 0.84 DRD2 (0.36) DRD2ALDH1A1
SCHEMBL3132519 0.83 CASP1 (0.33) DRD2ALDH1A1DPP4BRD4
SCHEMBL8744524 0.72 CASP3 (0.46) ALDH1A1
SCHEMBL20258518 0.71 MEN1 (0.42) DRD2ALDH1A1
SCHEMBL18885290 0.70 MEN1 (0.41) DRD2ALDH1A1
SCHEMBL27282218 0.70 MEN1 (0.38) DRD2ALDH1A1BRD4
SCHEMBL11022177 0.69 DPP4 (0.64) DRD2DPP4
SCHEMBL27387010 0.69 MEN1 (0.37) DRD2ALDH1A1BRD4
SCHEMBL20258458 0.69 DRD2 (0.33) DRD2

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
US-7674548-B2 Fuel cell KABUHSIKI KAISHA TOSHIBA (JP) 2010-03-09 US disclosed
US-20060115704-A1 Fuel cell KABUSHIKI KAISHA TOSHIBA (JP) 2006-06-01 US disclosed