SCHEMBL6459797

SCHEMBL6459797

CC(C)(c1nc(-c2ccccc2Cl)c(-c2cccc(CO)c2)s1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.39
ABCB11 O95342 1/20 0.38
DHODH Q02127 1/20 0.34
THRB P10828 11/20 0.34
THRA P10827 4/20 0.33
MEN1 O00255 1/20 0.33
NR1I2 O75469 1/20 0.33
KMT2A Q03164 1/20 0.33
MAP2K4 P45985 1/20 0.31
CDC7 O00311 1/20 0.31
DBF4 Q9UBU7 1/20 0.31

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
SCHEMBL7705288 0.89 P2RX7 (0.37) P2RX7ABCB11DHODHTHRBTHRA
SCHEMBL7135587 0.88 P2RX7 (0.38) P2RX7ABCB11THRBTHRAMEN1
SCHEMBL6461284 0.87 P2RX7 (0.35) P2RX7ABCB11THRBTHRAMEN1
SCHEMBL6462166 0.86 P2RX7 (0.38) P2RX7ABCB11THRBTHRA
SCHEMBL6462754 0.83 P2RX7 (0.41) P2RX7ABCB11THRBTHRAMEN1
SCHEMBL6459898 0.83 THRB (0.39) P2RX7ABCB11THRBTHRAMEN1
SCHEMBL6461628 0.83 ADORA2A (0.38) P2RX7ABCB11THRBTHRA
SCHEMBL6460370 0.82 P2RX7 (0.34) P2RX7ABCB11THRB
SCHEMBL6460365 0.82 P2RX7 (0.34) P2RX7ABCB11THRB
SCHEMBL6460658 0.80 THRB (0.35) P2RX7ABCB11THRBTHRAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894046-B2 IL-5 inhibiting 6-azauracil derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-17 US disclosed
EP-1114046-B1 INTERLEUKIN-5 INHIBITING 6-AZAURACIL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-04-23 EP disclosed
EP-1114046-A1 INTERLEUKIN-5 INHIBITING 6-AZAURACIL DERIVATIVES Janssen Pharmaceutica N.V. (BE) 2001-07-11 EP disclosed
WO-2000017195-A1 INTERLEUKIN-5 INHIBITING 6-AZAURACIL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2000-03-30 WO disclosed
EP-0987265-A1 Interleukin-5 inhibiting 6-azauracil derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2000-03-22 EP disclosed