SCHEMBL22018581

SCHEMBL22018581

CC(Sc1nnc(-c2ccoc2)n1C(C)c1ccccc1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
LMNA P02545 2/20 0.46
TSHR P16473 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.41
MEN1 O00255 3/20 0.37
KDM4E B2RXH2 2/20 0.37
CASP1 P29466 1/20 0.37
USP2 O75604 1/20 0.36
POLB P06746 2/20 0.35
DGAT1 O75907 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL13831094 0.86 TSHR (0.54) TSHRNPSR1MAPK1ALDH1A1HSD17B10
SCHEMBL15983374 0.83 TSHR (0.49) LMNATSHRNPSR1MAPK1ALDH1A1
SCHEMBL22047016 0.81 KMT2A (0.47) KMT2ALMNATSHRNPSR1MAPK1
SCHEMBL13831265 0.78 TSHR (0.73) KMT2ALMNATSHRNPSR1MAPK1
SCHEMBL22018988 0.78 ALDH1A1 (0.51) KMT2ALMNAALDH1A1HSD17B10HPGD
SCHEMBL22018586 0.78 ALDH1A1 (0.46) KMT2ALMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL22019393 0.77 LRRK2 (0.54) KMT2ALMNATSHRNPSR1MAPK1
SCHEMBL13831813 0.73 RECQL (0.55) LMNATSHRNPSR1MAPK1ALDH1A1
SCHEMBL13831221 0.71 DGAT1 (0.47) KMT2ATSHRNPSR1MAPK1ALDH1A1
SCHEMBL13831995 0.69 HPGD (0.52) LMNATSHRNPSR1MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2704575-B1 COMPOSITION FOR INHIBITION OF INSECT SENSING UNIV VANDERBILT (US) 2020-06-03 EP disclosed
EP-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed