SCHEMBL5564868

SCHEMBL5564868

CC(C(=O)NNC(=O)c1ccccc1)(c1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-n2ncc(=O)[nH]c2=O)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.45
ABCB11 O95342 1/20 0.42
THRB P10828 1/20 0.38
PDE2A O00408 5/20 0.38
MAPT P10636 1/20 0.36
CCR1 P32246 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 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
SCHEMBL5566129 0.89 P2RX7 (0.46) P2RX7ABCB11THRB
Benzoic Acid Hydrazide SCHEMBL6440127 0.88 P2RX7 (0.46) P2RX7ABCB11THRBPDE2AMAPT
SCHEMBL5566953 0.86 P2RX7 (0.44) P2RX7ABCB11THRBPDE2A
SCHEMBL5566088 0.85 P2RX7 (0.46) P2RX7ABCB11THRBPDE2A
SCHEMBL5566710 0.83 P2RX7 (0.41) P2RX7ABCB11THRBPDE2AIDO1
SCHEMBL10673166 0.79 P2RX7 (0.42) P2RX7ABCB11THRBPDE2AIDO1
SCHEMBL5560395 0.76 MEN1 (0.43) P2RX7ABCB11THRBPDE2AIDO1
SCHEMBL5567074 0.76 THRB (0.39) P2RX7ABCB11THRB
SCHEMBL6478877 0.76 P2RX7 (0.45) P2RX7ABCB11THRB
SCHEMBL6478617 0.75 MEN1 (0.47) P2RX7ABCB11THRB

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
EP-1000040-B1 IL-5 INHIBITING 6-AZAURACIL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2007-06-13 EP disclosed
EP-1000040-A1 IL-5 INHIBITING 6-AZAURACIL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-05-17 EP disclosed
WO-1999002505-A1 IL-5 INHIBITING 6-AZAURACIL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-01-21 WO disclosed