SCHEMBL22018765

SCHEMBL22018765

CN(C(=O)C1(Sc2nnc(-c3cccnc3)n2C)CC1)C1=CC=CCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 3/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.41
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL13831117 0.82 ALDH1A1 (0.53) TSHRALDH1A1POLBRAB9ALMNA
SCHEMBL13831052 0.79 ALDH1A1 (0.51) TSHRALDH1A1POLBRAB9ALMNA
SCHEMBL13831711 0.79 ALDH1A1 (0.51) TSHRALDH1A1POLBRAB9ALMNA
SCHEMBL19160775 0.73 TP53 (0.44) ALDH1A1POLBLMNAMAPTL3MBTL1
SCHEMBL13831089 0.71 ALDH1A1 (0.50) TSHRALDH1A1POLBLMNAMAPT
SCHEMBL22018516 0.70 CDC25A (0.36) TSHRALDH1A1POLBLMNAMAPT
SCHEMBL15983384 0.69 HSD11B1 (0.43) ALDH1A1POLBLMNAMAPTL3MBTL1
SCHEMBL15983387 0.69 TP53 (0.42) ALDH1A1POLBLMNAMAPTL3MBTL1
SCHEMBL13831864 0.68 ALDH1A1 (0.48) TSHRALDH1A1POLBLMNAMAPT
SCHEMBL13831833 0.68 ALDH1A1 (0.48) TSHRALDH1A1POLBLMNAMAPT

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