SCHEMBL9429928

SCHEMBL9429928

Cc1onc(C(=O)OCc2ccccc2)c1C(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
MAPT P10636 2/20 0.50
FLT1 P17948 1/20 0.47
KDR P35968 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GMNN O75496 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HTR1A P08908 1/20 0.46
THRB P10828 1/20 0.46
PIM1 P11309 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAOA P21397 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2A P28223 1/20 0.46
AGTR1 P30556 1/20 0.46

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
SCHEMBL9429402 0.89 PTGS2 (0.58) HTTMAPTFLT1KDRSMN1; SMN2
SCHEMBL9428786 0.87 HTT (0.65) HTTMAPTFLT1KDRNPC1
SCHEMBL9429262 0.85 PTGS2 (0.49) HTTMAPTFLT1KDRNPC1
SCHEMBL9429291 0.85 HTT (0.53) HTTMAPTFLT1KDRNPC1
SCHEMBL9429927 0.85 HTT (0.56) HTTMAPTFLT1KDRNPC1
SCHEMBL9428482 0.84 HTT (0.54) HTTMAPTFLT1KDRNPC1
SCHEMBL9429800 0.84 HTT (0.53) HTTMAPTFLT1KDRNPC1
SCHEMBL9429138 0.84 HTT (0.53) HTTMAPTFLT1KDRNPC1
SCHEMBL9429695 0.83 HTT (0.54) HTTMAPTFLT1KDRNPC1
SCHEMBL9429908 0.83 HTT (0.57) HTTMAPTFLT1KDRNPC1

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