SCHEMBL7264111

SCHEMBL7264111

CC1=CC(=O)C=C(Nc2cnccn2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LCK P06239 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ NFKB2 Q00653 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
SCHEMBL7264106 0.78 KMT2A (0.44) RAB9ANPC1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7271141 0.76 RAB9A (0.37) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL7263248 0.73 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2ACHEMAPT
SCHEMBL7264114 0.70 MAPT (0.54) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL5787755 0.69 KDR (0.47) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL22971211 0.64 CCNA2 (0.43) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL22971351 0.64 ALDH1A1 (0.42) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL22971122 0.64 ALDH1A1 (0.42) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL12784950 0.64 MAPKAPK2 (0.45) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL22971366 0.62 ALDH1A1 (0.41) 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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