SCHEMBL28648976

SCHEMBL28648976

[CH2]C(C)(C)Cn1cc(C#N)c2ccc(Br)cc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ GAA P10253 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KRAS P01116 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ STAT3 P40763 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ IMPDH2 P12268 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ AR P10275 1/20 0.33

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
SCHEMBL22122214 0.84 SMN1; SMN2 (0.46) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL22122433 0.84 SMN1; SMN2 (0.49) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL22122243 0.82 SMN1; SMN2 (0.47) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL10095347 0.81 SMN1; SMN2 (0.47) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL22128385 0.78 SMN1; SMN2 (0.41) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL22122364 0.78 SMN1; SMN2 (0.51) SMN1; SMN2GAAALDH1A1KMT2ANPSR1
SCHEMBL22122424 0.77 SMN1; SMN2 (0.43) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL22122211 0.77 SMN1; SMN2 (0.47) SMN1; SMN2GAAALDH1A1KMT2ANPSR1
SCHEMBL28657765 0.77 SMN1; SMN2 (0.47) SMN1; SMN2GAAALDH1A1KMT2ANPSR1
SCHEMBL22122410 0.75 SMN1; SMN2 (0.47) SMN1; SMN2GAAALDH1A1MEN1KMT2A

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-113498342-A Compounds involved in synergistic binding and uses thereof 锐新医药公司 2021-10-12 — — CN disclosed
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