SCHEMBL9429587

SCHEMBL9429587

Cc1onc(C(=O)SCc2ccccc2)c1C(=O)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.52
FLT1 P17948 1/20 0.49
KDR P35968 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GALK1 P51570 1/20 0.48
TP53 P04637 2/20 0.46
HTT P42858 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 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
SCHEMBL9429873 0.87 MAPT (0.47) PTGS2SMN1; SMN2FLT1KDRTP53
SCHEMBL9428709 0.86 PTGS2 (0.60) PTGS2SMN1; SMN2FLT1KDRMEN1
SCHEMBL9430073 0.85 PTGS2 (0.56) PTGS2SMN1; SMN2FLT1KDRMEN1
SCHEMBL9428558 0.85 PTGS2 (0.62) PTGS2SMN1; SMN2FLT1KDRMEN1
SCHEMBL9429402 0.85 PTGS2 (0.58) PTGS2SMN1; SMN2FLT1KDRMEN1
SCHEMBL9429382 0.84 PTGS2 (0.55) PTGS2SMN1; SMN2FLT1KDRMEN1
SCHEMBL8375473 0.83 PTGS2 (0.65) PTGS2SMN1; SMN2FLT1KDRMEN1
SCHEMBL9428652 0.82 PTGS2 (0.59) PTGS2SMN1; SMN2FLT1KDRMEN1
SCHEMBL9429364 0.82 PTGS2 (0.62) PTGS2SMN1; SMN2FLT1KDRMEN1
SCHEMBL9429179 0.81 PTGS2 (0.65) PTGS2SMN1; SMN2FLT1KDRMEN1

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