SCHEMBL28155109

SCHEMBL28155109

CCCCCNc1cc(OC)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.43
▸ F10 P00742 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ BRD4 O60885 3/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ PLK1 P53350 1/20 0.41
▸ PLK3 Q9H4B4 1/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39

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
SCHEMBL13282637 0.81 ALDH1A1 (0.50) ALDH1A1MEN1KMT2A
SCHEMBL24732039 0.80 F10 (0.50) F10SMN1; SMN2NR1I2ALDH1A1MEN1
SCHEMBL24254051 0.79 ALDH1A1 (0.46) F10SMN1; SMN2NR1I2ALDH1A1MEN1
SCHEMBL18109934 0.76 PLK1 (0.50) CNR2PLK1
SCHEMBL2157110 0.76 RAB9A (0.53) SMN1; SMN2NR1I2MEN1KMT2A
SCHEMBL2795277 0.76 NPC1 (0.46) F10SMN1; SMN2NR1I2ALDH1A1MEN1
SCHEMBL31372038 0.76 NPC1 (0.46) F10SMN1; SMN2NR1I2ALDH1A1MEN1
SCHEMBL24253966 0.76 POLB (0.56) F10NR1I2ALDH1A1MEN1KMT2A
SCHEMBL4568017 0.76 GAA (0.50) F10SMN1; SMN2NR1I2MEN1KMT2A
SCHEMBL2589170 0.76 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1MEN1KMT2A

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-106905261-A Synthesis method of 1, 3, 4-selenadiazole derivative 杭州健昵福生物科技有限公司 2017-06-30 — — CN disclosed
CN-106866581-A 1, 3, 4-selenadiazole compound with pharmaceutical activity 杭州健昵福生物科技有限公司 2017-06-20 — — CN disclosed
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