SCHEMBL7268866

SCHEMBL7268866

O=C1C=C(Nc2ccccn2)C(=O)C(c2ccccc2)=C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.51
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ KDR P35968 4/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ADRA2A P08913 2/20 0.38
▸ ADRA2B P18089 2/20 0.38
▸ ADRA2C P18825 2/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ MAOA P21397 1/20 0.38

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
SCHEMBL7264106 0.79 KMT2A (0.44) MEN1KMT2AMAPK10GFERKDR
SCHEMBL7262734 0.73 KMT2A (0.48) MEN1KMT2AMAPK10GFERKDR
SCHEMBL7271120 0.71 RAB9A (0.58) MEN1KMT2AMAPK10GFERNPC1
SCHEMBL987908 0.71 BACE1 (1.00) BACE1ALDH1A1MAOAMAOBMAPT
SCHEMBL7264088 0.70 MEN1 (0.44) MEN1KMT2AMAPK10GFERKDR
SCHEMBL29391624 0.67 KMT2A (0.76) MEN1KMT2AMAPK10GFERKDR
SCHEMBL221242 0.67 KMT2A (0.76) MEN1KMT2AMAPK10GFERKDR
SCHEMBL904463 0.65 MEN1 (0.55) MEN1KMT2AMAPK10GFERKDR
SCHEMBL7268893 0.65 MAPK10 (0.46) MEN1KMT2AMAPK10GFERKDR
SCHEMBL6574416 0.65 KMT2A (0.73) MEN1KMT2AMAPK10GFERKDR

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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