SCHEMBL7264114

SCHEMBL7264114

O=C1C=C(Nc2cnccn2)C(=O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.54
▸ RAB9A P51151 5/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ NPC1 O15118 4/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ HTT P42858 2/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ RELA Q04206 1/20 0.54
▸ TDP2 O95551 3/20 0.49
▸ NSD2 O96028 1/20 0.49
▸ BLM P54132 4/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ JAK2 O60674 1/20 0.49
▸ EPHB2 P29323 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2C8 P10632 1/20 0.48

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; SMN2NPC1ALDH1A1
SCHEMBL7262766 0.76 MAPT (0.62) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL7263264 0.75 MAPT (0.53) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL7268884 0.75 RAB9A (0.53) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL7262732 0.75 MAPT (0.53) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL8654523 0.72 MAPT (0.69) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL8655228 0.72 MAPT (0.69) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL7271141 0.71 RAB9A (0.37) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL754259 0.71 MAPT (1.00) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL29633257 0.71 MAPT (1.00) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1

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 1 patent. 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
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