SCHEMBL22019417

SCHEMBL22019417

C=CCn1c(SCC(=O)NC2=CC=C(C(C)(C)C)CC2)nnc1-c1ccsc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
PTK2 Q05397 1/20 0.49
ALDH1A1 P00352 10/20 0.48
KMT2A Q03164 5/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 3/20 0.48
HTT P42858 2/20 0.48
RAB9A P51151 4/20 0.47
TSHR P16473 3/20 0.47
MAPT P10636 5/20 0.47
HPGD P15428 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 3/20 0.47
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
PSMD14 O00487 1/20 0.45
GAA P10253 1/20 0.45
PPARG P37231 1/20 0.45
RECQL P46063 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
SCHEMBL22019628 0.89 MAPK1 (0.64) MAPK1PTK2ALDH1A1KMT2ALMNA
SCHEMBL22018596 0.88 ALDH1A1 (0.59) MAPK1PTK2ALDH1A1KMT2ALMNA
SCHEMBL13831510 0.84 ALDH1A1 (0.61) MAPK1PTK2ALDH1A1KMT2ALMNA
SCHEMBL13831470 0.79 MAPT (0.65) MAPK1PTK2ALDH1A1KMT2ALMNA
SCHEMBL22018977 0.79 LMNA (0.48) MAPK1ALDH1A1KMT2ALMNAMEN1
SCHEMBL13831509 0.78 PTK2 (0.59) MAPK1PTK2ALDH1A1KMT2ALMNA
SCHEMBL15983337 0.73 LMNA (0.59) MAPK1ALDH1A1KMT2ALMNAHTT
SCHEMBL15983255 0.72 PTK2 (0.76) MAPK1PTK2ALDH1A1KMT2ALMNA
SCHEMBL14475641 0.71 ALDH1A1 (0.71) MAPK1PTK2ALDH1A1KMT2ALMNA
SCHEMBL13831159 0.70 LMNA (0.60) MAPK1PTK2ALDH1A1KMT2ALMNA

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