SCHEMBL9428709

SCHEMBL9428709

Cc1onc(C(=O)Sc2ccccc2)c1C(=O)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.60
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GALK1 P51570 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 2/20 0.48
FLT1 P17948 1/20 0.47
KDR P35968 1/20 0.47
HTT P42858 2/20 0.45
TRPV1 Q8NER1 1/20 0.43
MAPT P10636 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
SCHEMBL9428558 0.88 PTGS2 (0.62) PTGS2MEN1KMT2AGALK1SMN1; SMN2
SCHEMBL9429816 0.86 NPC1 (0.49) PTGS2SMN1; SMN2TP53FLT1KDR
SCHEMBL9429587 0.86 PTGS2 (0.56) PTGS2MEN1KMT2AGALK1SMN1; SMN2
SCHEMBL8375473 0.86 PTGS2 (0.65) PTGS2MEN1KMT2AGALK1SMN1; SMN2
SCHEMBL9428652 0.85 PTGS2 (0.59) PTGS2MEN1KMT2AGALK1SMN1; SMN2
SCHEMBL9429364 0.85 PTGS2 (0.62) PTGS2MEN1KMT2AGALK1SMN1; SMN2
SCHEMBL9429179 0.84 PTGS2 (0.65) PTGS2MEN1KMT2AGALK1SMN1; SMN2
SCHEMBL9430073 0.83 PTGS2 (0.56) PTGS2MEN1KMT2AGALK1SMN1; SMN2
SCHEMBL9429402 0.82 PTGS2 (0.58) PTGS2MEN1KMT2AGALK1SMN1; SMN2
SCHEMBL9429382 0.81 PTGS2 (0.55) 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