SCHEMBL8655228

SCHEMBL8655228

O=C1C=C(Nc2ccccc2)C(=O)c2ccncc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.69
▸ SMN1; SMN2 Q16637 6/20 0.69
▸ RAB9A P51151 5/20 0.69
▸ NPC1 O15118 4/20 0.69
▸ LMNA P02545 4/20 0.69
▸ HTT P42858 4/20 0.69
▸ L3MBTL1 Q9Y468 4/20 0.69
▸ ALDH1A1 P00352 3/20 0.69
▸ MAPK1 P28482 3/20 0.69
▸ NFKB1 P19838 1/20 0.69
▸ NFKB2 Q00653 1/20 0.69
▸ RELA Q04206 1/20 0.69
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ TDP2 O95551 2/20 0.57
▸ NSD2 O96028 2/20 0.57
▸ GUCY1B2 O75343 1/20 0.57
▸ GUCY1A2 P33402 1/20 0.57
▸ GUCY1A1 Q02108 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
SCHEMBL8654523 0.94 MAPT (0.69) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL8654934 0.83 MAPT (0.70) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL754259 0.82 MAPT (1.00) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL29633257 0.82 MAPT (1.00) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL28408126 0.80 MAPT (0.96) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL8654199 0.79 MAPT (0.55) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL8651079 0.77 ALDH1A1 (0.56) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL8652412 0.77 ALDH1A1 (0.66) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL8653946 0.75 MAPT (0.58) MAPTSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL8656023 0.75 MAPT (0.68) MAPTSMN1; SMN2RAB9ANPC1LMNA

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
EP-0866692-A1 USE OF BICYCLIC MONO- OR DIKETONE DERIVATIVES, RESULTING COMPOUNDS, AND USE THEREOF AS A DRUG FOR TREATING INFLAMMATION, MIGRAINE AND SHOCK LABORATOIRE INNOTHERA Société Anonyme (FR) 1998-09-30 — — EP claimed
WO-1997021432-A1 USE OF BICYCLIC MONO- OR DIKETONE DERIVATIVES, RESULTING COMPOUNDS, AND USE THEREOF AS A DRUG FOR TREATING INFLAMMATION, MIGRAINE AND SHOCK LABORATOIRE INNOTHERA, S.A. (FR) 1997-06-19 — — WO claimed
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