SCHEMBL7848813

SCHEMBL7848813

CC(C)Oc1ccnc(F)c1NC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2C Q14957 1/20 0.37
IRAK4 Q9NWZ3 4/20 0.36
KMO O15229 1/20 0.36
GSK3B P49841 2/20 0.36
GSK3A P49840 1/20 0.36
ALDH1A1 P00352 3/20 0.36
ACHE P22303 1/20 0.35
MAPK1 P28482 2/20 0.35
TP53 P04637 1/20 0.35
RORC P51449 1/20 0.35
BRD4 O60885 2/20 0.34
BRPF1 P55201 2/20 0.34
XDH P47989 1/20 0.34

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
SCHEMBL8881504 0.82 ATR (0.46) KCNQ3KCNQ2
SCHEMBL7850043 0.81 LMNA (0.41) LMNABRD4SMN1; SMN2
SCHEMBL7850639 0.78 PDE4D (0.40) KDM4ELMNAALDH1A1
SCHEMBL7848782 0.77 KMT2A (0.41) KDM4ELMNAMAPK1SMN1; SMN2
SCHEMBL7849595 0.76 NAPRT (0.39) KDM4ELMNAKMOALDH1A1MAPK1
SCHEMBL7851383 0.73 ALOX15 (0.40) TDP1TP53SMN1; SMN2
SCHEMBL393492 0.71 NAPRT (0.38) KDM4EGSK3BGSK3ATP53SMN1; SMN2
SCHEMBL7853808 0.69 CCNT1 (0.40) IRAK4KMO
SCHEMBL16504803 0.67 GRIN3B (0.41) KDM4ELMNATDP1GRIN3BGRIN1
SCHEMBL27849283 0.67 KMO (0.43) KDM4ELMNATDP1GRIN3BGRIN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0717743-B1 N-ARYL 1,2,4]TRIAZOLO 1,5-a]PYRIDINE-2-SULFONAMIDE HERBICIDES DOW AGROSCIENCES LLC (US) 2001-11-14 EP disclosed
EP-0972774-A2 2-Benzylthio-8-amino(1,2,4)triazolo(1,5-pyridines Dow AgroSciences LLC (US) 2000-01-19 EP disclosed
EP-0717743-A1 N-ARYL 1,2,4]TRIAZOLO 1,5-a]PYRIDINE-2-SULFONAMIDE HERBICIDES DOWELANCO (US) 1996-06-26 EP disclosed
WO-1996001826-A1 N-ARYL[1,2,4]TRIAZOLO[1,5-a]PYRIDINE-2-SULFONAMIDE HERBICIDES DOWELANCO (US) 1996-01-25 WO disclosed