SCHEMBL3398729

SCHEMBL3398729

C=C(Br)c1cccc2nc(-c3ccc(O)cc3)oc12

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.56
ESR2 Q92731 19/20 0.51
ESR1 P03372 15/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL1377599 0.83 ESR2 (0.70) ESR2ESR1HDAC6
SCHEMBL14266178 0.76 ESR2 (0.52) DHODHESR2ESR1HDAC6
SCHEMBL3400654 0.75 ESR2 (0.70) DHODHESR2ESR1HDAC6
SCHEMBL505539 0.72 DHODH (1.00) DHODHESR2ESR1
SCHEMBL31737306 0.71 DHODH (0.72) DHODHESR2ESR1
SCHEMBL5226889 0.71 CEPT1 (0.53) DHODHESR2ESR1HDAC6
SCHEMBL2399908 0.71 ESR2 (0.70) ESR2ESR1HDAC6
SCHEMBL121400 0.71 DHODH (0.94) DHODHESR2ESR1
SCHEMBL3703337 0.70 DHODH (0.62) DHODHESR2ESR1HDAC6
SCHEMBL4147765 0.70 NPC1 (0.55) DHODHESR2ESR1HDAC6

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-2250180-A1 PHOSPHATE DERIVATIVES OF SUBSTITUTED BENZOXAZOLES Wyeth LLC (US) 2010-11-17 EP claimed
WO-2009100335-A1 PHOSPHATE DERIVATIVES OF SUBSTITUTED BENZOXAZOLES WYETH (US) 2009-08-13 WO claimed