SCHEMBL2783672

SCHEMBL2783672

O=C(NSc1cccc(C(F)(F)F)c1)Nc1noc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
EPHX2 P34913 6/20 0.46
FAAH O00519 1/20 0.45
ALDH1A1 P00352 1/20 0.42
MAPT P10636 2/20 0.40
KIT P10721 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL2787178 0.88 EPHX2 (0.55) TP53SMN1; SMN2EPHX2FAAHMAPT
SCHEMBL2785316 0.84 TP53 (0.52) TP53SMN1; SMN2EPHX2FAAHMAPT
SCHEMBL2787195 0.79 TP53 (0.63) TP53SMN1; SMN2EPHX2FAAHMAPT
SCHEMBL2784837 0.79 EPHX2 (0.52) TP53SMN1; SMN2EPHX2MAPTKIT
SCHEMBL2785365 0.77 TP53 (0.46) TP53SMN1; SMN2EPHX2FAAHALDH1A1
SCHEMBL10865438 0.77 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL2785867 0.76 SMN1; SMN2 (0.47) TP53SMN1; SMN2EPHX2FAAHMAPT
SCHEMBL2787344 0.76 TP53 (0.50) TP53SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL2784404 0.76 TP53 (0.55) TP53SMN1; SMN2EPHX2FAAHMAPT
SCHEMBL2784409 0.75 EPHX2 (0.46) EPHX2MAPTMEN1KMT2A

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