SCHEMBL22018554

SCHEMBL22018554

C=CCC(Sc1nnc(C2CC=CO2)n1C(=O)OC(C)(C)C)C(=O)Nc1ccc(CC)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
UBA2 Q9UBT2 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32
USP2 O75604 1/20 0.30
POLB P06746 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
SCHEMBL13831963 0.80 PTK2 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL13831488 0.79 KDM4E (0.41) ALDH1A1NPSR1SMN1; SMN2MAPTRAB9A
SCHEMBL13831809 0.78 RXFP1 (0.44) MEN1KMT2AALDH1A1HTTNPSR1
SCHEMBL13832117 0.78 ALDH1A1 (0.36) MEN1KMT2AALDH1A1HTTNPSR1
SCHEMBL15983305 0.78 ALDH1A1 (0.50) MEN1KMT2AALDH1A1HTTNPSR1
SCHEMBL15983351 0.77 ALDH1A1 (0.36) MEN1KMT2AALDH1A1HTTNPSR1
SCHEMBL13831270 0.77 NPSR1 (0.41) ALDH1A1HTTNPSR1MAPT
SCHEMBL22019642 0.69
SCHEMBL22018774 0.62 ALDH1A1 (0.55) KMT2AALDH1A1HTTNPSR1MAPT
SCHEMBL13831010 0.62 TP53 (0.41) MEN1KMT2ASMN1; SMN2MAPTRAB9A

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