SCHEMBL7142482

SCHEMBL7142482

CC(C)(c1nc(-c2ccccc2)c(C[C]=O)s1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.38
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
KMT2A Q03164 1/20 0.38
ABCB11 O95342 1/20 0.38
THRB P10828 11/20 0.36
THRA P10827 4/20 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
SCHEMBL6453803 0.90 P2RX7 (0.39) P2RX7MEN1NR1I2KMT2AABCB11
SCHEMBL6455333 0.89 P2RX7 (0.42) P2RX7MEN1NR1I2KMT2AABCB11
SCHEMBL5762275 0.88 KDM4E (0.43) P2RX7MEN1KMT2AABCB11THRB
SCHEMBL6462050 0.87 P2RX7 (0.41) P2RX7MEN1NR1I2KMT2AABCB11
SCHEMBL6462754 0.86 P2RX7 (0.41) P2RX7MEN1NR1I2KMT2AABCB11
SCHEMBL6459750 0.85 P2RX7 (0.41) P2RX7MEN1NR1I2KMT2AABCB11
SCHEMBL6459744 0.82 MEN1 (0.39) P2RX7MEN1NR1I2KMT2AABCB11
SCHEMBL6457871 0.81 P2RX7 (0.35) P2RX7MEN1NR1I2KMT2AABCB11
SCHEMBL6454146 0.81 THRB (0.36) P2RX7MEN1NR1I2KMT2AABCB11
SCHEMBL6461977 0.81 THRB (0.36) P2RX7MEN1NR1I2KMT2AABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1114046-B1 INTERLEUKIN-5 INHIBITING 6-AZAURACIL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2003-04-23 EP disclosed