SCHEMBL28158735

SCHEMBL28158735

CC(C)c1ccc2c(c1N)C(=O)c1ccccc1C2=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 8/20 0.64
▸ ALDH1A1 P00352 7/20 0.64
▸ SMN1; SMN2 Q16637 6/20 0.64
▸ RAB9A P51151 5/20 0.64
▸ L3MBTL1 Q9Y468 4/20 0.64
▸ NPC1 O15118 4/20 0.64
▸ CYP3A4 P08684 4/20 0.64
▸ TSHR P16473 3/20 0.64
▸ CASP3 P42574 1/20 0.64
▸ HBB P68871 1/20 0.64
▸ SENP7 Q9BQF6 1/20 0.64
▸ SENP6 Q9GZR1 1/20 0.64
▸ MAOA P21397 3/20 0.62
▸ MAOB P27338 1/20 0.62
▸ MAPT P10636 7/20 0.59
▸ MEN1 O00255 6/20 0.59
▸ KMT2A Q03164 6/20 0.59
▸ TDP1 Q9NUW8 4/20 0.59
▸ POLB P06746 3/20 0.59
▸ LMNA P02545 3/20 0.59

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
SCHEMBL16145030 0.90 MAPK1 (0.60) MAPK1ALDH1A1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL30985958 0.88 MAPK1 (0.62) MAPK1ALDH1A1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL28897198 0.84 ALDH1A1 (0.51) MAPK1ALDH1A1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL6289054 0.80 MAPK1 (0.57) MAPK1ALDH1A1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL28435280 0.79 MAOA (0.68) MAPK1ALDH1A1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL10945285 0.78 CDC25B (0.50) MAPK1ALDH1A1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL591041 0.78 ALDH1A1 (1.00) MAPK1ALDH1A1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL29558186 0.78 ALDH1A1 (1.00) MAPK1ALDH1A1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL487001 0.77 MAOA (1.00) MAPK1ALDH1A1SMN1; SMN2RAB9AL3MBTL1
SCHEMBL30129869 0.77 MAOA (1.00) MAPK1ALDH1A1SMN1; SMN2RAB9AL3MBTL1

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-106800795-A A kind of synthetic method of solvent blue 19 02 江苏道博化工有限公司 2017-06-06 — — CN disclosed
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