SCHEMBL23320422

SCHEMBL23320422

CC(C)(C)N(C(=O)O)c1ccc2cn(-c3cccc(S(C)(=O)=O)c3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 11/20 0.37
NR1H3 Q13133 10/20 0.37
CYP2C9 P11712 8/20 0.37
CYP2D6 P10635 6/20 0.37
CYP3A4 P08684 4/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CG P48736 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NAMPT P43490 1/20 0.35
ESR2 Q92731 1/20 0.34
KCNH2 Q12809 2/20 0.34
GPR119 Q8TDV5 1/20 0.34
CRBN Q96SW2 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL23320573 0.79 NAMPT (0.48) NR1H2NR1H3CYP2C9CYP2D6CYP3A4
SCHEMBL30323648 0.76 RORC (0.44) NR1H2NR1H3NAMPTGPR119
SCHEMBL23320423 0.76 RORC (0.44) NR1H2NR1H3NAMPTGPR119
SCHEMBL23320393 0.76 MEN1 (0.40) NR1H2NR1H3CYP2C9CYP2D6CYP3A4
SCHEMBL23320351 0.76 MAPT (0.46) NR1H2NR1H3CYP2C9CYP2D6CYP3A4
SCHEMBL17802489 0.74 ADORA3 (0.42) NPC1LMNAMAPTRAB9ANAMPT
SCHEMBL30943213 0.69 NAMPT (0.75) NAMPT
SCHEMBL23320417 0.69 NAMPT (0.75) NAMPT
SCHEMBL3213503 0.64 PTGS2 (0.50) MEN1NPC1LMNAMAPTRAB9A
SCHEMBL31316873 0.63 KCNH2 (0.46) NR1H2NR1H3CYP2C9CYP2D6CYP3A4

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-3818053-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-05-12 EP disclosed