SCHEMBL3717801

SCHEMBL3717801

N#Cc1nc(C(=O)C(N)C(=O)O)c(O)c2onc(-c3ccc(F)cc3)c12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.36
ADORA2A P29274 3/20 0.36
TPH1 P17752 2/20 0.35
LMNA P02545 2/20 0.33
ERBB2 P04626 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EGLN1 Q9GZT9 4/20 0.33
CHUK O15111 1/20 0.32
EGLN2 Q96KS0 3/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
ADORA2B P29275 2/20 0.32
SLC26A6 Q9BXS9 1/20 0.30

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
SCHEMBL3716789 0.92 TPH1 (0.35) ADORA1ADORA2ATPH1LMNAERBB2
SCHEMBL3714404 0.87 ADORA1 (0.39) ADORA1ADORA2ATPH1ALDH1A1EGLN1
SCHEMBL3717499 0.82 ERBB2 (0.33) ADORA1ADORA2AERBB2ALDH1A1EGLN1
SCHEMBL3721279 0.80 EGLN1 (0.39) TPH1LMNAALDH1A1EGLN1SLC26A6
SCHEMBL3722988 0.80 TPH1 (0.39) TPH1LMNAEGLN1PTGDR2SLC26A6
SCHEMBL2774182 0.80 EGLN1 (0.54) EGLN1EGLN2
SCHEMBL3712146 0.80 PTGS1 (0.31)
SCHEMBL3660963 0.74 PTGS2 (0.41) ADORA1ADORA2AALDH1A1EGLN1EGLN2
SCHEMBL3722940 0.73 GPBAR1 (0.32)
SCHEMBL2777131 0.72 EGLN1 (0.54) EGLN1EGLN2

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-2227475-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS Fibrogen, Inc. (US) 2010-09-15 EP disclosed
WO-2009073669-A1 ISOXAZOLOPYRIDINE DERIVATIVES FOR USE IN THE TREATMENT OF HIF-MEDIATED CONDITIONS FIBROGEN, INC. (US) 2009-06-11 WO disclosed