SCHEMBL9428652

SCHEMBL9428652

Cc1onc(C(=O)SC(C)(C)C)c1C(=O)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.59
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GALK1 P51570 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
FLT1 P17948 1/20 0.48
KDR P35968 1/20 0.48
TRPV1 Q8NER1 3/20 0.47
EPHX2 P34913 1/20 0.44
HTT P42858 1/20 0.44
DHODH Q02127 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43
TP53 P04637 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL9428558 0.90 PTGS2 (0.62) PTGS2MEN1KMT2AGALK1SMN1; SMN2
SCHEMBL9429179 0.85 PTGS2 (0.65) PTGS2MEN1KMT2AGALK1SMN1; SMN2
SCHEMBL8375473 0.85 PTGS2 (0.65) PTGS2MEN1KMT2AGALK1SMN1; SMN2
SCHEMBL9428709 0.85 PTGS2 (0.60) PTGS2MEN1KMT2AGALK1SMN1; SMN2
SCHEMBL9430073 0.85 PTGS2 (0.56) PTGS2MEN1KMT2AGALK1SMN1; SMN2
SCHEMBL9429382 0.83 PTGS2 (0.55) PTGS2MEN1KMT2AGALK1SMN1; SMN2
SCHEMBL9423132 0.83 HTT (0.64) PTGS2MEN1KMT2AGALK1SMN1; SMN2
SCHEMBL9429587 0.82 PTGS2 (0.56) PTGS2MEN1KMT2AGALK1SMN1; SMN2
SCHEMBL9429364 0.81 PTGS2 (0.62) PTGS2MEN1KMT2AGALK1SMN1; SMN2
SCHEMBL9428794 0.80 PTGS2 (0.58) PTGS2MEN1KMT2AGALK1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5328907-A Treatment of allograft rejection in mammals and antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1994-07-12 US disclosed
US-5108999-A For treating inflammation, autoimmune disease or allograft rejection in mammals SYNTEX (U.S.A.) INC. (US) 1992-04-28 US disclosed
US-5001124-A 4-isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-03-19 US disclosed