SCHEMBL22483005

SCHEMBL22483005

C/C=N\c1c(NC)c(=O)n(CCNC(=O)CC)c(=O)n1C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MTNR1A P48039 8/20 0.34
MTNR1B P49286 8/20 0.34
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA1 P30542 3/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL22483009 0.91 CASP2 (0.35) TP53TSHRMTNR1AMTNR1BPOLB
SCHEMBL22483038 0.81 ALDH1A1 (0.40) ALDH1A1
SCHEMBL22483004 0.80 GAA (0.47) MEN1KMT2APOLBALDH1A1
SCHEMBL13413716 0.69 MEN1 (0.52) TP53TSHRMEN1KMT2AMTNR1A
SCHEMBL22521716 0.60 TOP2A (0.41) MEN1KMT2AALDH1A1
SCHEMBL9877458 0.59 TP53 (0.61) TP53TSHRMEN1KMT2AMTNR1A
SCHEMBL13413721 0.57 CASP2 (0.50) TSHRMTNR1AMTNR1BPOLBTHRB
SCHEMBL19375505 0.57 PDE4A (0.33) ALDH1A1
SCHEMBL24777174 0.56 MTNR1A (0.56) TP53TSHRMEN1KMT2AMTNR1A
SCHEMBL15235369 0.56 MTNR1A (0.53) TP53TSHRMEN1KMT2AMTNR1A

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
WO-2020192665-A1 NUCLEOSIDE DERIVATIVE FOR PREVENTING AND TREATING INFLAMMATION AND APPLICATION THEREOF 四川大学华西医院 2020-10-01 WO disclosed