SCHEMBL2784409

SCHEMBL2784409

Cc1ccc2onc(NC(=O)NSc3ccc(C(F)(F)F)cc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.46
MAPK14 Q16539 1/20 0.39
MAPT P10636 5/20 0.39
TDP1 Q9NUW8 1/20 0.38
CCR2 P41597 1/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CTNNB1 P35222 1/20 0.35
TCF7L2 Q9NQB0 1/20 0.35
P2RY14 Q15391 1/20 0.35

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 0.84 EPHX2 (0.55) EPHX2MAPT
SCHEMBL2784411 0.76 EPHX2 (0.56) EPHX2MAPK14MAPTTDP1MEN1
SCHEMBL2783672 0.75 TP53 (0.48) EPHX2MAPTMEN1KMT2A
SCHEMBL24713130 0.74 EPHX2 (0.58) EPHX2MAPK14MAPTMEN1KMT2A
SCHEMBL2784887 0.72 HIF1A (0.39) MAPTTDP1KMT2ARXFP1
SCHEMBL18727404 0.72 MAPT (0.52) MAPTTDP1MEN1KMT2A
SCHEMBL2787195 0.71 TP53 (0.63) EPHX2MAPTKMT2A
SCHEMBL2440155 0.71 SMN1; SMN2 (0.52) MAPTNPSR1
SCHEMBL2785316 0.70 TP53 (0.52) EPHX2MAPT
SCHEMBL23447710 0.70 MAPT (0.55) MAPTMEN1KMT2ANPSR1

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