SCHEMBL7263248

SCHEMBL7263248

CC1=CC(=O)C=C(Nc2ncccn2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GUCY1B2 O75343 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GUCY1A2 P33402 1/20 0.33
▸ GUCY1A1 Q02108 1/20 0.33
▸ GUCY1B1 Q02153 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CDK4 P11802 1/20 0.31
▸ ACHE P22303 1/20 0.30
▸ DDAH1 O94760 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30

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 0.80 KMT2A (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL7264111 0.73 RAB9A (0.36) ALDH1A1MAPTSMN1; SMN2ACHE
SCHEMBL7262715 0.73 KDR (0.37) ALDH1A1MEN1GUCY1B2MAPTGUCY1A2
SCHEMBL7262766 0.67 MAPT (0.62) ALDH1A1MEN1GUCY1B2MAPTGUCY1A2
SCHEMBL21463 0.66 MAPT (0.41) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL28093506 0.63 MAPT (0.39) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL2174053 0.63 ALDH1A1 (0.53) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL7262729 0.60 IDO1 (0.60) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
Duroquinone SCHEMBL11408085 0.60 DDAH1 (0.36) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL27311239 0.57 SLC2A1 (0.50) ALDH1A1MEN1MAPTKMT2ASMN1; 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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