SCHEMBL7268880

SCHEMBL7268880

O=C1C=C(Nc2nccc(-c3ccccc3)n2)C(=O)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ IKBKB O14920 2/20 0.50
▸ ABL1 P00519 1/20 0.49
▸ EGFR P00533 1/20 0.49
▸ PRKCA P17252 1/20 0.49
▸ PRKCD Q05655 1/20 0.49
▸ MAPK8 P45983 3/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ CAMK2D Q13557 2/20 0.46

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 0.81 MAPT (0.62) MAPTALDH1A1SMN1; SMN2MAPK1RAB9A
SCHEMBL1593016 0.72 PRKCD (0.79) MAPTMAPK1RAB9ANPC1IKBKB
SCHEMBL7270260 0.71 RAB9A (0.55) MAPTALDH1A1SMN1; SMN2MAPK1RAB9A
SCHEMBL754259 0.70 MAPT (1.00) MAPTALDH1A1SMN1; SMN2MAPK1RAB9A
SCHEMBL29633257 0.70 MAPT (1.00) MAPTALDH1A1SMN1; SMN2MAPK1RAB9A
SCHEMBL7271120 0.70 RAB9A (0.58) MAPTALDH1A1SMN1; SMN2MAPK1RAB9A
SCHEMBL28408126 0.69 MAPT (0.96) MAPTALDH1A1SMN1; SMN2MAPK1RAB9A
SCHEMBL7912631 0.67 MAPT (0.80) MAPTALDH1A1SMN1; SMN2MAPK1RAB9A
SCHEMBL5316895 0.67 TDP1 (0.63) RAB9ANPC1IKBKBABL1EGFR
SCHEMBL11471935 0.67 AGTR1 (0.63) MAPTALDH1A1SMN1; SMN2RAB9ANPC1

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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