SCHEMBL22018516

SCHEMBL22018516

O=Cn1c(SC2(C(=O)NC3=CC=CCC3)CC2)nnc1-c1cccnc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
MAPT P10636 4/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 5/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 2/20 0.35
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 3/20 0.34
RECQL P46063 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL22018793 0.90 TP53 (0.31) MAPTLMNAALDH1A1HPGDL3MBTL1
SCHEMBL13831715 0.83 HPGD (0.45) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL22019347 0.74 ALDH1A1 (0.46) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL13832233 0.73 TP53 (0.43) MAPTLMNAKMT2AMEN1POLB
SCHEMBL13831712 0.72 TSHR (0.44) MAPTLMNAALDH1A1POLBGAA
SCHEMBL22018765 0.70 TSHR (0.43) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL22019423 0.69
SCHEMBL13831990 0.69 HPGD (0.59) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL13831122 0.68 HPGD (0.47) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL13831938 0.67 ALDH1A1 (0.58) CDC25ACDC25BMAPTLMNAKMT2A

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-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed