SCHEMBL8464779

SCHEMBL8464779

Cc1nocc1C(=O)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.51
SORT1 Q99523 1/20 0.50
P2RX7 Q99572 1/20 0.48
PPARA Q07869 10/20 0.47
PPARG P37231 4/20 0.46
EPHX2 P34913 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK14 Q16539 1/20 0.46
PPARD Q03181 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CHRM4 P08173 1/20 0.45
KDM1A O60341 1/20 0.45
HDAC1 Q13547 1/20 0.45

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
SCHEMBL3670697 0.80 SMN1; SMN2 (0.60) P2RX7EPHX2SMN1; SMN2
SCHEMBL8854765 0.77 GAA (0.70) LSSP2RX7PPARASMN1; SMN2
SCHEMBL10425483 0.77 SMN1; SMN2 (0.67) LSSSORT1P2RX7PPARAPPARG
SCHEMBL17038830 0.75 FSCN1 (0.67) HDAC6HDAC1
SCHEMBL30501138 0.75 FSCN1 (0.67) HDAC6HDAC1
SCHEMBL13947580 0.74 LSS (0.72) LSSPPARAPPARGEPHX2SMN1; SMN2
SCHEMBL23187971 0.74 FLT1 (0.40) P2RX7HDAC6KDM1AHDAC1
SCHEMBL17038803 0.73 FSCN1 (0.55)
SCHEMBL30695005 0.73 FSCN1 (0.55)
SCHEMBL1695141 0.72 MTOR (0.58) LSSSORT1P2RX7PPARAPPARG

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
US-5958959-A ADMINISTERING 5-METHYLISOXAZOLE-4-CARBOXYLIC ACID-(4-TRIFLUOROMETHYL)ANILIDE OR 2-CYANO-3-HYDROXY-N-(4-(TRIFLUOROMETHYL)PHENYL)-2-BUTENAMIDE SUGEN, INC. (US) 1999-09-28 US disclosed