SCHEMBL3663345

SCHEMBL3663345

CCOC(=O)c1onc(C2(Br)CCCCC2)c1CBr.CCOC(=O)c1onc(C2CCCCC2)c1C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.32
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
MMP2 P08253 1/20 0.30
BMP1 P13497 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
SCHEMBL2778352 0.88 PLK1 (0.39) PLK1
SCHEMBL2775492 0.82 ALDH1A1 (0.38) DRD2HTR2AMMP2BMP1
SCHEMBL3662121 0.69 TSHR (0.34) DRD2HTR2AMMP2BMP1
SCHEMBL3662123 0.69 TSHR (0.34) DRD2HTR2AMMP2BMP1
SCHEMBL3532745 0.66 NPC1 (0.40) PLK1
SCHEMBL6853026 0.66 LMNA (0.40)
SCHEMBL285668 0.66 L3MBTL1 (0.44)
SCHEMBL285476 0.64 L3MBTL1 (0.45)
SCHEMBL30999039 0.64 HTT (0.39)
SCHEMBL19900847 0.64 ADORA3 (0.39) MMP2BMP1

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