SCHEMBL28435280

SCHEMBL28435280

CC(C)c1c(N)ccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.68
▸ MAOB P27338 1/20 0.68
▸ ALDH1A1 P00352 9/20 0.59
▸ MAPK1 P28482 9/20 0.59
▸ SMN1; SMN2 Q16637 8/20 0.59
▸ L3MBTL1 Q9Y468 6/20 0.59
▸ RAB9A P51151 6/20 0.59
▸ NPC1 O15118 4/20 0.59
▸ CYP3A4 P08684 3/20 0.59
▸ TSHR P16473 2/20 0.59
▸ CASP3 P42574 1/20 0.59
▸ HBB P68871 1/20 0.59
▸ SENP7 Q9BQF6 1/20 0.59
▸ SENP6 Q9GZR1 1/20 0.59
▸ ADORA2A P29274 5/20 0.57
▸ CSNK1A1 P48729 2/20 0.57
▸ CSNK1D P48730 2/20 0.57
▸ CSNK1G1 Q9HCP0 2/20 0.57
▸ FGR P09769 1/20 0.57
▸ PIM1 P11309 1/20 0.57

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
SCHEMBL11437224 0.87 MAOA (0.51) MAOAMAOBALDH1A1MAPK1SMN1; SMN2
SCHEMBL30129869 0.81 MAOA (1.00) MAOAMAOBALDH1A1MAPK1SMN1; SMN2
SCHEMBL487001 0.81 MAOA (1.00) MAOAMAOBALDH1A1MAPK1SMN1; SMN2
SCHEMBL28897198 0.80 ALDH1A1 (0.51) MAOAMAOBALDH1A1MAPK1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL6046897 0.79 MAOA (0.96) MAOAMAOBALDH1A1MAPK1SMN1; SMN2
Methoxymethane SCHEMBL11741879 0.79 MAOA (0.86) MAOAMAOBALDH1A1MAPK1SMN1; SMN2
SCHEMBL9643579 0.78 MAOA (0.67) MAOAMAOBALDH1A1MAPK1SMN1; SMN2
SCHEMBL7170511 0.76 ADORA2A (0.48) MAOAMAOBALDH1A1MAPK1SMN1; SMN2
SCHEMBL28827042 0.75 MAOA (0.86) MAOAMAOBALDH1A1MAPK1SMN1; SMN2
SCHEMBL397172 0.74 MEN1 (0.67) MAOAMAOBALDH1A1MAPK1SMN1; SMN2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111518409-B Synthetic method of solvent red 169 江苏道博化工有限公司 2021-04-20 — — CN claimed
CN-111518409-A Synthetic method of solvent red 169 江苏道博化工有限公司 2020-08-11 — — CN claimed
CN-111518409-B Synthetic method of solvent red 169 江苏道博化工有限公司 2021-04-20 — — CN disclosed
CN-111518409-B Synthetic method of solvent red 169 江苏道博化工有限公司 2021-04-20 — — CN disclosed
CN-111518409-A Synthetic method of solvent red 169 江苏道博化工有限公司 2020-08-11 — — CN disclosed
CN-111518409-A Synthetic method of solvent red 169 江苏道博化工有限公司 2020-08-11 — — CN disclosed
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