SCHEMBL13831736

SCHEMBL13831736

CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1cccnc1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.80
▸ MAPK1 P28482 1/20 0.68
▸ LMNA P02545 3/20 0.65
▸ HTT P42858 1/20 0.65
▸ POLB P06746 1/20 0.65
▸ TDP1 Q9NUW8 1/20 0.64
▸ KMT2A Q03164 3/20 0.63
▸ USP2 O75604 2/20 0.63
▸ MEN1 O00255 2/20 0.58
▸ GAA P10253 2/20 0.58
▸ CDC25A P30304 1/20 0.58
▸ CDC25B P30305 1/20 0.58
▸ MAPT P10636 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL18559053 0.91 ALDH1A1 (0.69) ALDH1A1MAPK1LMNAHTTKMT2A
SCHEMBL18559319 0.91 ALDH1A1 (0.67) ALDH1A1MAPK1LMNAHTTPOLB
SCHEMBL15986083 0.91 ALDH1A1 (0.67) ALDH1A1MAPK1LMNAHTTKMT2A
SCHEMBL18556524 0.89 ALDH1A1 (0.65) ALDH1A1MAPK1LMNAHTTPOLB
SCHEMBL18559057 0.89 ALDH1A1 (1.00) ALDH1A1MAPK1LMNAHTTPOLB
SCHEMBL4211839 0.89 ALDH1A1 (0.75) ALDH1A1MAPK1POLBTDP1USP2
SCHEMBL18559114 0.89 ALDH1A1 (0.74) ALDH1A1LMNAPOLBTDP1KMT2A
SCHEMBL13737637 0.86 KMT2A (0.75) ALDH1A1MAPK1LMNAHTTKMT2A
SCHEMBL18556548 0.84 MAPK1 (0.70) ALDH1A1MAPK1LMNAHTTPOLB
SCHEMBL4215761 0.84 LMNA (0.74) ALDH1A1MAPK1LMNAPOLBTDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2704575-B1 COMPOSITION FOR INHIBITION OF INSECT SENSING UNIV VANDERBILT (US) 2020-06-03 — — EP disclosed
EP-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 — — EP disclosed
WO-2012154403-A9 COMPOSITIONS FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2013-01-03 — — WO disclosed
WO-2012154403-A2 COMPOSITION FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2012-11-15 — — WO disclosed
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