SCHEMBL5545790

SCHEMBL5545790

NOC(C(N)=O)c1ccccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 2/20 0.46
FGFR1 P11362 2/20 0.40
FGFR2 P21802 2/20 0.40
FGFR4 P22455 2/20 0.40
FGFR3 P22607 2/20 0.40
SRC P12931 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
KMT2A Q03164 2/20 0.39
SRR Q9GZT4 3/20 0.38
PSAT1 Q9Y617 2/20 0.38
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36
HNF4A P41235 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
BCL2L1 Q07817 1/20 0.35
LMNA P02545 1/20 0.35
HDAC4 P56524 1/20 0.35

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
SCHEMBL2393244 0.85 BCAT2 (0.44) BCAT2FGFR1FGFR2FGFR4FGFR3
SCHEMBL4592441 0.83 BCAT2 (0.43) BCAT2FGFR1FGFR2FGFR4FGFR3
SCHEMBL27341635 0.80 SLC1A3 (0.44) BCAT2KMT2APPARAPPARGALDH1A1
SCHEMBL2395264 0.77 BCAT2 (0.55) BCAT2FGFR1FGFR2FGFR4FGFR3
SCHEMBL2392699 0.77 BCAT2 (0.55) BCAT2FGFR1FGFR2FGFR4FGFR3
SCHEMBL2395269 0.77 BCAT2 (0.55) BCAT2FGFR1FGFR2FGFR4FGFR3
SCHEMBL2391809 0.75 BCAT2 (0.48) BCAT2FGFR1FGFR2FGFR4FGFR3
SCHEMBL5017613 0.75 SRR (0.47) SRRPSAT1
SCHEMBL2393686 0.75 BCAT2 (0.48) BCAT2FGFR1FGFR2FGFR4FGFR3
SCHEMBL5056664 0.75 BCAT2 (0.48) BCAT2FGFR1FGFR2FGFR4FGFR3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1830858-A2 3, 6-BICYCLOLIDES Enanta Pharmaceuticals, Inc. (US) 2007-09-12 EP disclosed
WO-2006063039-A2 3, 6-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed