SCHEMBL28916467

SCHEMBL28916467

CCOc1cc(N2CCOCC2)ccc1[N+]#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.47
▸ LMNA P02545 2/20 0.47
▸ ALDH1A1 P00352 8/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ ALOX12 P18054 2/20 0.46
▸ RECQL P46063 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ THRB P10828 1/20 0.43
▸ HPGD P15428 3/20 0.42
▸ GAA P10253 3/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ LGMN Q99538 2/20 0.41
▸ ALOX15 P16050 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40

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
SCHEMBL3972410 0.85 MEN1 (0.54) MAPTLMNAALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL1855131 0.83 MEN1 (0.53) MAPTLMNAALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL7134409 0.82 MEN1 (0.52) MAPTLMNAALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL7134410 0.82 MEN1 (0.52) MAPTLMNAALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL9304960 0.81 MEN1 (0.51) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL3314693 0.81 GAA (0.54) MAPTLMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL12311765 0.80 MAPT (0.53) MAPTLMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL11873266 0.80 MEN1 (0.50) MAPTLMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL10626585 0.80 MEN1 (0.50) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL131153 0.80 MEN1 (0.50) MAPTLMNAALDH1A1SMN1; SMN2L3MBTL1

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
CN-112813136-A Aerobic vaginitis test paper and preparation method thereof 桂林优利特医疗电子有限公司 2021-05-18 — — CN claimed
CN-112813136-A Aerobic vaginitis test paper and preparation method thereof 桂林优利特医疗电子有限公司 2021-05-18 — — CN disclosed
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