SCHEMBL2784404

SCHEMBL2784404

O=C(NSc1c(F)c(F)c(F)c(F)c1F)Nc1noc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
MAPT P10636 1/20 0.45
HIF1A Q16665 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
KCNJ6 P48051 1/20 0.40
KCNJ3 P48549 1/20 0.40
EPHX2 P34913 5/20 0.39
FAAH O00519 3/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL2787195 0.84 TP53 (0.63) TP53SMN1; SMN2MAPTHIF1AALOX15
SCHEMBL2785316 0.83 TP53 (0.52) TP53SMN1; SMN2MAPTHIF1AALOX15
SCHEMBL2788190 0.80 SMN1; SMN2 (0.55) TP53SMN1; SMN2MAPTHIF1AALOX15
SCHEMBL2784919 0.79 SMN1; SMN2 (0.56) TP53SMN1; SMN2MAPTHIF1AALOX15
SCHEMBL2785576 0.79 SMN1; SMN2 (0.48) TP53SMN1; SMN2MAPTHIF1AALOX15
SCHEMBL2788818 0.79 TP53 (0.51) TP53SMN1; SMN2MAPTHIF1AALOX15
SCHEMBL2784837 0.78 EPHX2 (0.52) TP53SMN1; SMN2MAPTHIF1AALOX15
SCHEMBL2787178 0.78 EPHX2 (0.55) TP53SMN1; SMN2MAPTEPHX2FAAH
SCHEMBL2786425 0.77 HIF1A (0.46) TP53SMN1; SMN2MAPTHIF1AALOX15
SCHEMBL2785365 0.77 TP53 (0.46) TP53SMN1; SMN2MAPTHIF1AALOX15

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
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP claimed