SCHEMBL2785136

SCHEMBL2785136

O=C(NSCc1ccc(F)cc1)Nc1noc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
MAPT P10636 3/20 0.42
EPHX2 P34913 1/20 0.41
FAAH O00519 4/20 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
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
MAOB P27338 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.38
HIF1A Q16665 1/20 0.37

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
SCHEMBL2786507 0.90 TP53 (0.49) TP53SMN1; SMN2MAPTEPHX2FAAH
SCHEMBL2786687 0.88 SMN1; SMN2 (0.49) TP53SMN1; SMN2MAPTFAAHALOX15
SCHEMBL2785768 0.83 SMN1; SMN2 (0.51) TP53SMN1; SMN2MAPTEPHX2FAAH
SCHEMBL2787195 0.82 TP53 (0.63) TP53SMN1; SMN2MAPTEPHX2FAAH
SCHEMBL2784672 0.80 TP53 (0.48) TP53SMN1; SMN2MAPTEPHX2FAAH
SCHEMBL2786061 0.78 TP53 (0.58) TP53SMN1; SMN2MAPTEPHX2FAAH
SCHEMBL2788417 0.78 SMN1; SMN2 (0.49) TP53SMN1; SMN2MAPTEPHX2FAAH
SCHEMBL2786232 0.77 SMN1; SMN2 (0.47) TP53SMN1; SMN2MAPTFAAHALOX15
SCHEMBL2787234 0.76 SMN1; SMN2 (0.47) TP53SMN1; SMN2MAPTEPHX2FAAH
SCHEMBL2788190 0.76 SMN1; SMN2 (0.55) TP53SMN1; SMN2MAPTEPHX2FAAH

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