SCHEMBL9429262

SCHEMBL9429262

Cc1onc(C(=O)Oc2ccccc2)c1C(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.49
HTT P42858 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GMNN O75496 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
THRB P10828 1/20 0.48
PIM1 P11309 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAOA P21397 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2A P28223 1/20 0.48
AGTR1 P30556 1/20 0.48
CCKBR P32239 1/20 0.48
MC4R P32245 1/20 0.48

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
SCHEMBL9429364 0.89 PTGS2 (0.62) PTGS2HTTTP53SMN1; SMN2TRPV1
SCHEMBL9428482 0.87 HTT (0.54) PTGS2HTTNPC1RAB9ATP53
SCHEMBL9429928 0.85 HTT (0.53) PTGS2HTTNPC1RAB9ATP53
SCHEMBL7880670 0.84 LMNA (0.56) PTGS2HTTNPC1RAB9ATP53
SCHEMBL9429561 0.84 TP53 (0.47) PTGS2HTTNPC1RAB9ATP53
SCHEMBL9428786 0.84 HTT (0.65) PTGS2HTTNPC1RAB9ATP53
SCHEMBL9429597 0.84 HTT (0.51) PTGS2HTTNPC1RAB9ATP53
SCHEMBL9429816 0.82 NPC1 (0.49) PTGS2HTTNPC1RAB9ATP53
SCHEMBL9429927 0.81 HTT (0.56) PTGS2HTTNPC1RAB9ATP53
SCHEMBL9429291 0.81 HTT (0.53) PTGS2HTTNPC1RAB9ATP53

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