SCHEMBL22018926

SCHEMBL22018926

CN(C(=O)C1(Sc2nnc([C@H]3C=COC3)n2C)CCCC1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 1/20 0.31
SRC P12931 1/20 0.31
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
SCHEMBL22018934 0.85 ALDH1A1 (0.33) ALDH1A1ALOX15HSD17B10KMT2ASRC
SCHEMBL15983387 0.78 TP53 (0.42) ALDH1A1KMT2APOLB
SCHEMBL13831833 0.77 ALDH1A1 (0.48) ALDH1A1KMT2APOLB
SCHEMBL15983384 0.76 HSD11B1 (0.43) ALDH1A1KMT2APOLB
SCHEMBL13831437 0.75 ALDH1A1 (0.50) ALDH1A1HSD17B10KMT2APOLB
SCHEMBL13832063 0.75 NPC1 (0.50) ALDH1A1KMT2APOLB
SCHEMBL13831864 0.75 ALDH1A1 (0.48) ALDH1A1KMT2APOLB
SCHEMBL13830887 0.74 RGS12 (0.40) ALDH1A1HSD17B10KMT2APOLB
SCHEMBL13830932 0.74 RAB9A (0.50) ALDH1A1KMT2A
SCHEMBL19160775 0.73 TP53 (0.44) ALDH1A1KMT2APOLB

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