SCHEMBL22018796

SCHEMBL22018796

CCn1c(SCC(=O)Nc2ccc3c(c2)OCC3)nnc1C1C=CC=CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
GAA P10253 2/20 0.50
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
KMT2A Q03164 3/20 0.48
USP2 O75604 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL22018790 0.81 ALDH1A1 (0.49) ALDH1A1GAALMNAKMT2AUSP2
SCHEMBL13831959 0.79 KMT2A (0.67) ALDH1A1GAALMNATP53KMT2A
SCHEMBL13832094 0.78 KMT2A (0.68) ALDH1A1GAALMNATP53KMT2A
SCHEMBL15983299 0.78 ALDH1A1 (0.82) ALDH1A1GAALMNATP53KMT2A
SCHEMBL15983382 0.77 KMT2A (0.62) ALDH1A1GAALMNATP53KMT2A
SCHEMBL13831926 0.76 ALDH1A1 (0.82) ALDH1A1GAALMNATP53KMT2A
SCHEMBL13831284 0.75 ALDH1A1 (0.83) ALDH1A1GAALMNATP53KMT2A
SCHEMBL15983360 0.75 ALDH1A1 (0.61) ALDH1A1GAALMNATP53KMT2A
SCHEMBL13831615 0.75 KMT2A (0.83) ALDH1A1LMNATP53KMT2AUSP2
SCHEMBL22018787 0.74 RORC (0.69) ALDH1A1LMNATP53NPC1SMN1; SMN2

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