SCHEMBL7271120

SCHEMBL7271120

O=C1C=C(Nc2ccccn2)C(=O)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.58
▸ MAPT P10636 4/20 0.58
▸ NPC1 O15118 4/20 0.58
▸ L3MBTL1 Q9Y468 4/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ NFKB2 Q00653 1/20 0.58
▸ RELA Q04206 1/20 0.58
▸ BLM P54132 3/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ JAK2 O60674 1/20 0.53
▸ EPHB2 P29323 1/20 0.53
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ GUCY1B2 O75343 1/20 0.52
▸ GUCY1A2 P33402 1/20 0.52

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
SCHEMBL7262766 0.83 MAPT (0.62) RAB9AMAPTNPC1L3MBTL1SMN1; SMN2
SCHEMBL7264114 0.83 MAPT (0.54) RAB9AMAPTNPC1L3MBTL1SMN1; SMN2
SCHEMBL2243458 0.80 ALDH1A1 (0.66) RAB9AMAPTNPC1L3MBTL1SMN1; SMN2
SCHEMBL7264088 0.79 MEN1 (0.44) RAB9AMAPTNPC1L3MBTL1SMN1; SMN2
SCHEMBL7262732 0.79 MAPT (0.53) RAB9AMAPTNPC1L3MBTL1SMN1; SMN2
SCHEMBL7268884 0.79 RAB9A (0.53) RAB9AMAPTNPC1L3MBTL1SMN1; SMN2
SCHEMBL7263264 0.79 MAPT (0.53) RAB9AMAPTNPC1L3MBTL1SMN1; SMN2
SCHEMBL15690628 0.75 MAOA (0.54) RAB9AMAPTNPC1L3MBTL1SMN1; SMN2
SCHEMBL7268893 0.74 MAPK10 (0.46) RAB9ANPC1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL754259 0.74 MAPT (1.00) RAB9AMAPTNPC1L3MBTL1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6653311-B1 Minimal or no effect on cycloxygenase-1 and -2 activity BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY 2003-11-25 — — US claimed
US-6653311-B1 Minimal or no effect on cycloxygenase-1 and -2 activity BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY 2003-11-25 — — US disclosed
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