SCHEMBL9428655

SCHEMBL9428655

CCOC(=O)c1noc(-c2ccccc2)c1C(=O)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.51
MAPT P10636 3/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
FLT1 P17948 1/20 0.48
KDR P35968 1/20 0.48
TP53 P04637 2/20 0.45
P2RY12 Q9H244 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ABL1 P00519 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL9429463 0.90 PTGS2 (0.52) PTGS2HTTSMN1; SMN2FLT1KDR
SCHEMBL9429341 0.89 MAPT (0.58) MAPTHTTSMN1; SMN2FLT1KDR
SCHEMBL9429300 0.88 SMN1; SMN2 (0.52) PTGS2HTTSMN1; SMN2FLT1KDR
SCHEMBL9429944 0.86 KDM4E (0.53) PTGS2MAPTHTTSMN1; SMN2TP53
SCHEMBL9423132 0.86 HTT (0.64) PTGS2MAPTHTTSMN1; SMN2FLT1
SCHEMBL9423016 0.80 PTGS2 (0.51) PTGS2MAPTHTTSMN1; SMN2FLT1
SCHEMBL9429402 0.80 PTGS2 (0.58) PTGS2MAPTHTTSMN1; SMN2FLT1
SCHEMBL9429412 0.79 HIF1A (0.56) MAPTSMN1; SMN2TP53POLBNPC1
SCHEMBL9428794 0.79 PTGS2 (0.58) PTGS2MAPTHTTSMN1; SMN2FLT1
SCHEMBL9428554 0.79 PTGS1 (0.50) MAPTHTTSMN1; SMN2FLT1KDR

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