SCHEMBL20006968

SCHEMBL20006968

Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.74
TP53 P04637 1/20 0.72
MAPK1 P28482 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
GHSR Q92847 1/20 0.63
ALDH1A1 P00352 5/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
TSHR P16473 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
ALOX12 P18054 1/20 0.59
KDM4E B2RXH2 1/20 0.59
HPGD P15428 1/20 0.58
HTT P42858 1/20 0.58

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
SCHEMBL20006970 0.84 TP53 (1.00) PTGS2TP53MAPK1SMN1; SMN2GHSR
SCHEMBL12585052 0.83 MAPK1 (0.79) PTGS2TP53MAPK1SMN1; SMN2GHSR
SCHEMBL20006967 0.83 TP53 (0.74) TP53MAPK1SMN1; SMN2GHSRALDH1A1
SCHEMBL8375473 0.83 PTGS2 (0.65) PTGS2TP53SMN1; SMN2L3MBTL1MEN1
SCHEMBL9429364 0.83 PTGS2 (0.62) PTGS2TP53SMN1; SMN2ALDH1A1MEN1
SCHEMBL13501815 0.82 ALDH1A1 (0.84) PTGS2TP53MAPK1SMN1; SMN2GHSR
SCHEMBL20006969 0.81 MAPK1 (0.72) PTGS2TP53MAPK1SMN1; SMN2GHSR
SCHEMBL9428709 0.81 PTGS2 (0.60) PTGS2TP53SMN1; SMN2MEN1KMT2A
SCHEMBL13733531 0.81 PTGS2 (0.53) PTGS2TP53MAPK1ALDH1A1L3MBTL1
SCHEMBL9429179 0.81 PTGS2 (0.65) PTGS2SMN1; SMN2ALDH1A1MEN1KMT2A

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
WO-2018055235-A1 ISOXAZOLE-AMIDES FOR TREATING CARDIAC DISEASES UNIVERSITY OF HELSINKI (FI) 2018-03-29 WO disclosed