SCHEMBL28036038

SCHEMBL28036038

CO[Si](OC)(OC)c1ccccc1CN

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.45
TAAR1 Q96RJ0 2/20 0.38
DPP4 P27487 3/20 0.38
IDO1 P14902 2/20 0.34
LOXL2 Q9Y4K0 2/20 0.34
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
NCF1 P14598 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL14829368 0.84 TAAR1 (0.53) TAAR1
SCHEMBL20584031 0.83 HSPA5 (0.36) TAAR1IDO1ALDH1A1GAAMAPT
SCHEMBL669702 0.81 GABRA1 (0.38) MAPTKDM4E
SCHEMBL240617 0.79 ALDH1A1 (0.34) PNMTTAAR1IDO1ALDH1A1KDM4E
SCHEMBL4844480 0.79 ALDH1A1 (0.31) TAAR1IDO1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4843001 0.79 IDO1 (0.31) TAAR1IDO1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8372215 0.79 IDO1 (0.31) TAAR1IDO1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2108819 0.79 IDO1 (0.40) TAAR1IDO1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4420821 0.79 IDO1 (0.31) TAAR1IDO1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL31143634 0.79 ALDH1A1 (0.34) PNMTTAAR1IDO1ALDH1A1KDM4E

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
CN-104950610-A Toner CANON KK 2015-09-30 CN disclosed