SCHEMBL22019367

SCHEMBL22019367

CCn1c(SCC(=O)Nc2ccccc2)nnc1C1C=CC(C(=O)OC)=NC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC27A1 Q6PCB7 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TSHR P16473 2/20 0.52
ALDH1A1 P00352 1/20 0.52
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RAB9A P51151 1/20 0.49
USP2 O75604 1/20 0.47

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
SCHEMBL22019368 0.87 TSHR (0.54) SLC27A1TSHRALDH1A1MAPK1MAPT
SCHEMBL22018592 0.81 ALDH1A1 (0.54) SLC27A1MEN1KMT2ATSHRALDH1A1
SCHEMBL22019376 0.81 SLC27A1 (0.54) SLC27A1MEN1KMT2ATSHRALDH1A1
SCHEMBL22018518 0.80 ALDH1A1 (0.55) MEN1KMT2ATSHRALDH1A1ALOX15
SCHEMBL22018510 0.80 TSHR (0.54) SLC27A1TSHRALDH1A1ALOX15MAPK1
SCHEMBL4215408 0.76 ALDH1A1 (0.72) MEN1KMT2ATSHRALDH1A1ALOX15
SCHEMBL22018594 0.76 ALDH1A1 (0.55) SLC27A1TSHRALDH1A1ALOX15MAPK1
SCHEMBL22018589 0.76 ALDH1A1 (0.53) SLC27A1TSHRALDH1A1ALOX15MAPK1
SCHEMBL22019413 0.74 TSHR (0.53) SLC27A1TSHRALDH1A1ALOX15MAPK1
SCHEMBL22018801 0.74 TSHR (0.53) SLC27A1TSHRALDH1A1ALOX15MAPK1

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