SCHEMBL28506945

SCHEMBL28506945

CCc1ccc2c(c1OS(=O)(=O)Oc1c(CC)ccc3c1C(=O)c1ccccc1C3=O)C(=O)c1ccccc1C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 8/20 0.50
▸ RAB9A P51151 6/20 0.50
▸ NPC1 O15118 5/20 0.50
▸ MAPT P10636 11/20 0.44
▸ ALDH1A1 P00352 10/20 0.44
▸ MAPK1 P28482 7/20 0.44
▸ L3MBTL1 Q9Y468 5/20 0.44
▸ LMNA P02545 3/20 0.44
▸ ELANE P08246 2/20 0.43
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ CYP3A4 P08684 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ HBB P68871 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ MAOA P21397 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MCL1 Q07820 2/20 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
SCHEMBL27871781 0.85 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL28527666 0.81 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL3798382 0.75 MAPK1 (0.50) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL6682201 0.73 MAPK1 (0.64) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL28758865 0.73 ELANE (0.69) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL10063730 0.73 MAPT (0.50) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL6904491 0.73 ELANE (0.48) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL83136 0.72 ADORA2A (0.53) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL27940045 0.71 MAPT (0.46) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL28018779 0.71 ELANE (0.49) SMN1; SMN2RAB9ANPC1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112007689-B Catalyst and preparation method and application thereof 大连理工大学 2021-10-19 — — CN disclosed
CN-112340706-A Method for separating and purifying 2-methylanthraquinone from sulfuric acid 潍坊门捷化工有限公司 2021-02-09 — — CN disclosed
CN-112007689-A Catalyst and preparation method and application thereof 大连理工大学 2020-12-01 — — CN disclosed
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