SCHEMBL7270260

SCHEMBL7270260

Cc1cc(C)nc(NC2=CC(=O)c3ccccc3C2=O)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.55
▸ ALDH1A1 P00352 6/20 0.55
▸ MAPT P10636 5/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ MAPK1 P28482 4/20 0.55
▸ NPC1 O15118 4/20 0.55
▸ LMNA P02545 4/20 0.55
▸ HTT P42858 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ NFKB2 Q00653 1/20 0.55
▸ RELA Q04206 1/20 0.55
▸ BLM P54132 3/20 0.50
▸ JAK2 O60674 1/20 0.50
▸ EPHB2 P29323 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49

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 0.78 MAPT (0.62) RAB9AALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL7263260 0.78 LMNA (0.39) RAB9AALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL15906854 0.75 RAB9A (0.68) RAB9AALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL14571425 0.73 MAPT (0.77) RAB9AALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL29633218 0.73 MAPT (0.77) RAB9AALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL29746447 0.73 MAPT (0.69) RAB9AALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL16296882 0.73 MAPT (0.69) RAB9AALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL16297243 0.73 MAPT (0.64) RAB9AALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL754259 0.72 MAPT (1.00) RAB9AALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL29633257 0.72 MAPT (1.00) RAB9AALDH1A1MAPTSMN1; SMN2MAPK1

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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