SCHEMBL9429561

SCHEMBL9429561

Cc1onc(C(=O)OC(C)c2ccccc2)c1C(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
HTT P42858 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GMNN O75496 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTR1A P08908 1/20 0.45
THRB P10828 1/20 0.45
PIM1 P11309 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAOA P21397 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2A P28223 1/20 0.45
AGTR1 P30556 1/20 0.45
CCKBR P32239 1/20 0.45
MC4R P32245 1/20 0.45
CYP2C19 P33261 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
SCHEMBL9429262 0.84 PTGS2 (0.49) TP53HTTNPC1RAB9ASMN1; SMN2
SCHEMBL9428482 0.83 HTT (0.54) TP53HTTNPC1RAB9ASMN1; SMN2
SCHEMBL9429928 0.81 HTT (0.53) TP53HTTNPC1RAB9ASMN1; SMN2
SCHEMBL7880670 0.81 LMNA (0.56) TP53HTTNPC1RAB9ASMN1; SMN2
SCHEMBL9428786 0.80 HTT (0.65) TP53HTTNPC1RAB9ASMN1; SMN2
SCHEMBL9429597 0.80 HTT (0.51) TP53HTTNPC1RAB9ASMN1; SMN2
SCHEMBL9429816 0.79 NPC1 (0.49) TP53HTTNPC1RAB9ASMN1; SMN2
SCHEMBL9429291 0.78 HTT (0.53) TP53HTTNPC1RAB9ASMN1; SMN2
SCHEMBL9429927 0.78 HTT (0.56) TP53HTTNPC1RAB9ASMN1; SMN2
SCHEMBL9429800 0.77 HTT (0.53) TP53HTTNPC1RAB9ASMN1; 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