SCHEMBL7262766

SCHEMBL7262766

O=C1C=C(Nc2ncccn2)C(=O)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.62
▸ RAB9A P51151 5/20 0.62
▸ SMN1; SMN2 Q16637 4/20 0.62
▸ NPC1 O15118 4/20 0.62
▸ MAPK1 P28482 3/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ L3MBTL1 Q9Y468 3/20 0.62
▸ LMNA P02545 3/20 0.62
▸ HTT P42858 2/20 0.62
▸ NFKB1 P19838 1/20 0.62
▸ NFKB2 Q00653 1/20 0.62
▸ RELA Q04206 1/20 0.62
▸ BLM P54132 4/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ JAK2 O60674 1/20 0.55
▸ EPHB2 P29323 1/20 0.55
▸ MEN1 O00255 5/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ GUCY1B2 O75343 1/20 0.55
▸ GUCY1A2 P33402 1/20 0.55

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
SCHEMBL7271120 0.83 RAB9A (0.58) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL7268880 0.81 MAPT (0.52) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL7270260 0.78 RAB9A (0.55) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL754259 0.77 MAPT (1.00) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL29633257 0.77 MAPT (1.00) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL7264114 0.76 MAPT (0.54) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL29249560 0.76 MEN1 (0.81) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL28408126 0.75 MAPT (0.96) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL15690628 0.74 MAOA (0.54) MAPTRAB9ASMN1; SMN2NPC1MAPK1
SCHEMBL7912631 0.74 MAPT (0.80) MAPTRAB9ASMN1; SMN2NPC1MAPK1

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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