SCHEMBL22018983

SCHEMBL22018983

CCn1c(SC2(C(=O)Nc3ccccc3)CCC2)nnc1C1C=COC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 3/20 0.34
CYP3A4 P08684 1/20 0.34
RORC P51449 1/20 0.34
RAB9A P51151 1/20 0.33
DRD2 P14416 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
SCHEMBL22018772 0.84 ALDH1A1 (0.38) ALDH1A1TSHRSMN1; SMN2ALOX15MAPK1
SCHEMBL22018528 0.81 ALDH1A1 (0.37) ALDH1A1TSHRALOX15MAPK1POLB
SCHEMBL13831893 0.79 GAA (0.51) ALDH1A1TSHRSMN1; SMN2MAPK1LMNA
SCHEMBL13831344 0.78 ALDH1A1 (0.49) ALDH1A1TSHRSMN1; SMN2MAPK1LMNA
SCHEMBL13831226 0.77 GAA (0.51) ALDH1A1TSHRSMN1; SMN2MAPK1LMNA
SCHEMBL13831389 0.77 ALDH1A1 (0.55) ALDH1A1TSHRSMN1; SMN2LMNAMEN1
SCHEMBL13831398 0.77 POLB (0.55) ALDH1A1TSHRSMN1; SMN2ALOX15MAPK1
SCHEMBL13832021 0.76 ALDH1A1 (0.49) ALDH1A1TSHRSMN1; SMN2MAPK1LMNA
SCHEMBL13832283 0.76 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2MAPK1LMNA
SCHEMBL13832216 0.76 NPSR1 (0.56) ALDH1A1TSHRSMN1; SMN2LMNAMEN1

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