SCHEMBL11286007

SCHEMBL11286007

O=[N+]([O-])c1ccc(-n2ncnc2-c2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.53
POLB P06746 2/20 0.50
SRC P12931 1/20 0.49
BRAF P15056 1/20 0.49
KDR P35968 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.46
PTGS2 P35354 1/20 0.44
MAPT P10636 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
XDH P47989 1/20 0.43
HSPB1 P04792 1/20 0.43
NR3C2 P08235 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL11285199 1.00 PTGS1 (0.53) PTGS1POLBSRCBRAFKDR
SCHEMBL11362879 0.86 SMN1; SMN2 (0.46) POLBSMN1; SMN2PKMPTGS2MAPT
SCHEMBL11311508 0.86 MAPT (0.46) PTGS1POLBSMN1; SMN2PKMPTGS2
SCHEMBL11286056 0.86 MAPT (0.46) PTGS1POLBSMN1; SMN2PKMPTGS2
SCHEMBL11307972 0.86 SMN1; SMN2 (0.62) SMN1; SMN2PKMMAPTKMT2AMEN1
SCHEMBL11304536 0.86 SMN1; SMN2 (0.55) POLBSMN1; SMN2PKMPTGS2MAPT
SCHEMBL11293397 0.78 MAPT (0.47) POLBSMN1; SMN2PKMMAPTKMT2A
SCHEMBL11306787 0.78 LMNA (0.43) SRCBRAFKDRSMN1; SMN2PTGS2
SCHEMBL11283541 0.78 LMNA (0.43) SRCBRAFKDRSMN1; SMN2PTGS2
SCHEMBL11252379 0.76 FLT3 (0.50) SRCBRAFKDRSMN1; SMN2MAPT

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
EP-0051084-A1 Substituted 1H-1,2,4-triazoles AMERICAN CYANAMID COMPANY (US) 1982-05-12 EP disclosed
US-4259504-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS AMERICAN CYANAMID COMPANY (US) 1981-03-31 US disclosed