SCHEMBL22019628

SCHEMBL22019628

C=CCn1c(SCC(=O)NC2=CC=C(C(C)(C)C)CC2)nnc1-c1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.64
PTK2 Q05397 1/20 0.63
LMNA P02545 4/20 0.61
SMN1; SMN2 Q16637 6/20 0.56
ALDH1A1 P00352 6/20 0.56
KDM4E B2RXH2 1/20 0.56
NPC1 O15118 1/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 3/20 0.54
HTT P42858 2/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 3/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
THRB P10828 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL22018596 0.92 ALDH1A1 (0.59) MAPK1PTK2LMNASMN1; SMN2ALDH1A1
SCHEMBL22019417 0.89 MAPK1 (0.50) MAPK1PTK2LMNASMN1; SMN2ALDH1A1
SCHEMBL15983255 0.83 PTK2 (0.76) MAPK1PTK2LMNASMN1; SMN2ALDH1A1
SCHEMBL15986468 0.78 PTK2 (0.78) MAPK1PTK2LMNASMN1; SMN2ALDH1A1
SCHEMBL13831830 0.78 PTK2 (0.83) MAPK1PTK2LMNASMN1; SMN2ALDH1A1
SCHEMBL13832001 0.77 PTK2 (0.75) MAPK1PTK2LMNASMN1; SMN2ALDH1A1
SCHEMBL4202502 0.76 PTK2 (0.73) MAPK1PTK2LMNASMN1; SMN2ALDH1A1
SCHEMBL14475641 0.75 ALDH1A1 (0.71) MAPK1PTK2LMNASMN1; SMN2ALDH1A1
SCHEMBL13831794 0.73 ALDH1A1 (0.68) MAPK1PTK2LMNAALDH1A1KDM4E
SCHEMBL13831510 0.72 ALDH1A1 (0.61) MAPK1PTK2LMNASMN1; SMN2ALDH1A1

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