SCHEMBL7271141

SCHEMBL7271141

CC1=CC(=O)C(Nc2cnccn2)=CC1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ KDM4E B2RXH2 4/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDR P35968 2/20 0.34
▸ LCK P06239 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ MAPKAPK2 P49137 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL7268893 0.77 MAPK10 (0.46) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7264111 0.76 RAB9A (0.36) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL7262715 0.73 KDR (0.37) RAB9ANPC1ALDH1A1SMN1; SMN2KDR
SCHEMBL7264114 0.71 MAPT (0.54) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL5787755 0.70 KDR (0.47) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL22971351 0.65 ALDH1A1 (0.42) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL22971211 0.65 CCNA2 (0.43) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL12784950 0.65 MAPKAPK2 (0.45) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL22971222 0.63 ALDH1A1 (0.41) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL20019 0.63 GAA (0.48) RAB9ANPC1KDM4EALDH1A1HPGD

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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