SCHEMBL28035509

SCHEMBL28035509

COC(=O)Cc1cccc(OC(C)Br)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ HSP90AB1 P08238 1/20 0.44
▸ CTBP2 P56545 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ TSHR P16473 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP4F2 P78329 1/20 0.41
▸ CYP4A11 Q02928 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41

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
SCHEMBL5745401 0.84 SLC7A5 (0.51) SLC7A5SMN1; SMN2ALDH1A1GAAGFER
SCHEMBL18920453 0.83 SLC7A5 (0.54) SLC7A5SMN1; SMN2ALDH1A1GAAGFER
SCHEMBL378705 0.82 SMN1; SMN2 (0.61) SLC7A5SMN1; SMN2ALDH1A1CTBP2POLB
SCHEMBL31249652 0.82 SMN1; SMN2 (0.61) SLC7A5SMN1; SMN2ALDH1A1CTBP2POLB
SCHEMBL27649234 0.80 SLC7A5 (0.54) SLC7A5SMN1; SMN2ALDH1A1GAAGFER
SCHEMBL12400239 0.80 SLC7A5 (0.68) SLC7A5SMN1; SMN2ALDH1A1GAAGFER
SCHEMBL3980691 0.79 SLC7A5 (0.47) SLC7A5SMN1; SMN2ALDH1A1GAAGFER
SCHEMBL3980690 0.79 SLC7A5 (0.47) SLC7A5SMN1; SMN2ALDH1A1GAAGFER
SCHEMBL3981146 0.79 SLC7A5 (0.47) SLC7A5SMN1; SMN2ALDH1A1GAAGFER
SCHEMBL4634509 0.78 SLC7A5 (0.55) SLC7A5SMN1; SMN2ALDH1A1GAAGFER

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-104918922-A TRIAZOLONE COMPOUNDS AND USES THEREOF INCEPTION 2 INC 2015-09-16 — — CN disclosed
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