SCHEMBL28684149

SCHEMBL28684149

COc1cccc(C#N)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.50
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
CTSA P10619 3/20 0.47
IMPDH2 P12268 1/20 0.47
IMPDH1 P20839 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
FABP3 P05413 1/20 0.43
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
PGR P06401 2/20 0.42
ABL1 P00519 1/20 0.42

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
SCHEMBL8566940 0.86 AR (0.51) ARPOLBGAACTSAIMPDH2
SCHEMBL7181751 0.85 AR (0.50) ARPOLBGAACTSAIMPDH2
Water SCHEMBL28136778 0.82 CA1 (0.55) ARGAAFABP3FABP4FABP5
SCHEMBL3255414 0.81 ALDH1A1 (0.47) ARPOLBCTSASMN1; SMN2ABL1
SCHEMBL19820790 0.81 POLB (0.63) ARPOLBGAAIMPDH2IMPDH1
SCHEMBL355567 0.80 CA1 (0.57) ARGAAFABP3FABP4FABP5
SCHEMBL18411452 0.80 TSHR (0.46) SMN1; SMN2
SCHEMBL8596052 0.79 IMPDH2 (0.53) ARPOLBGAAIMPDH2IMPDH1
SCHEMBL7575609 0.79 IMPDH2 (0.53) ARIMPDH2IMPDH1MAOAMAOB
SCHEMBL28641928 0.79 AR (0.49) ARPOLBGAACTSAIMPDH2

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-108602770-B Novel biphenyl compound or salt thereof 大鹏药品工业株式会社 2022-02-08 CN disclosed